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Part 1: Document Description
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Citation |
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Title: |
Data For Publication "Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles" |
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Identification Number: |
doi:10.18419/darus-1172 |
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Distributor: |
DaRUS |
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Date of Distribution: |
2021-04-05 |
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Version: |
1 |
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Bibliographic Citation: |
Schnierle, Marc; Blickle, Svenja; Filippou, Vasileios; Ringenberg, Mark, 2021, "Data For Publication "Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles"", https://doi.org/10.18419/darus-1172, DaRUS, V1 |
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Citation |
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Title: |
Data For Publication "Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels-Alder (iEDDA) addition of dienophiles" |
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Identification Number: |
doi:10.18419/darus-1172 |
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Authoring Entity: |
Schnierle, Marc (Universität Stuttgart) |
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Blickle, Svenja (Universität Stuttgart) |
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Filippou, Vasileios (Universität Stuttgart) |
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Ringenberg, Mark (Universität Stuttgart) |
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Grant Number: |
358283783 - SFB 1333 |
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Distributor: |
DaRUS |
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Access Authority: |
Ringenberg, Mark |
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Depositor: |
Ringenberg, Mark |
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Date of Deposit: |
2020-12-10 |
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Holdings Information: |
https://doi.org/10.18419/darus-1172 |
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Study Scope |
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Keywords: |
Chemistry |
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Abstract: |
The data contained within comes from the report concerning the coordination of rhenium complexes to tetrazine ligand in [ReCl(CO)3(TzPy)] [1] (TzPy = 3-(2-pyridyl)-1,2,4,5-tetrazine) and the rates of addition of different dienophiles to the tetrazine. Tetrazine coordination lowers the DS‡ contribution to DeltaG‡ for iEDDA addition. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
Marc Schnierle, Svenja Blickle, Vasileios Filippou, Mark R. Ringenberg: Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels–Alder (iEDDA) addition of dienophiles. Chem. Commun., 2020, 56, 12033 |
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Identification Number: |
10.1039/d0cc03805A |
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Bibliographic Citation: |
Marc Schnierle, Svenja Blickle, Vasileios Filippou, Mark R. Ringenberg: Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels–Alder (iEDDA) addition of dienophiles. Chem. Commun., 2020, 56, 12033 |
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Abbreviations.rtf |
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CCDC.rtf |
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Manuscript.pdf |
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application/pdf |
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Supporting_Information.pdf |
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application/pdf |
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ac479a-ReFc.cif |
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chemical/x-cif |
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ac484-ReCi.cif |
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chemical/x-cif |
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ac488-Re.cif |
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chemical/x-cif |
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checkcif_all.pdf |
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application/pdf |
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stams02-ReTCO.cif |
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chemical/x-cif |
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PES-1Fc-Minor.png |
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image/png |
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PES_b.png |
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image/png |
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PES_TCO.png |
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image/png |
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orca.inp |
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application/octet-stream |
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orca_401.out |
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application/octet-stream |
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TPSS_iEDDA_TightSCF.allxyz |
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application/octet-stream |
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TPSS_iEDDA_TightSCF.gbw |
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application/octet-stream |
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TPSS_iEDDA_TightSCF.opt |
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application/octet-stream |
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TPSS_iEDDA_TightSCF.relaxscanact.dat |
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text/x-fixed-field |
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TPSS_iEDDA_TightSCF.relaxscanscf.dat |
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text/x-fixed-field |
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TPSS_iEDDA_TightSCF.trj |
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application/octet-stream |
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TPSS_iEDDA_TightSCF.xyz |
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chemical/x-xyz |
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TPSS_iEDDA_TightSCF_atom75.out |
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application/octet-stream |
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TPSS_iEDDA_TightSCF_property.txt |
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text/plain |
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orca.inp |
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application/octet-stream |
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orca_401.out |
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application/octet-stream |
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TPSS_iEDDA_minor.allxyz |
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TPSS_iEDDA_minor.gbw |
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application/octet-stream |
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TPSS_iEDDA_minor.opt |
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TPSS_iEDDA_minor.relaxscanact.dat |
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text/x-fixed-field |
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TPSS_iEDDA_minor.relaxscanscf.dat |
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text/x-fixed-field |
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TPSS_iEDDA_minor.trj |
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application/octet-stream |
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TPSS_iEDDA_minor.xyz |
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chemical/x-xyz |
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TPSS_iEDDA_minor_atom75.out |
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application/octet-stream |
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TPSS_iEDDA_minor_property.txt |
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text/plain |
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TPSS_iEDDA_TCO.xyz |
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chemical/x-xyz |
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orca.inp |
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application/octet-stream |
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orca_401.out |
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application/octet-stream |
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TPSS_iEDDA_L-ViFc.allxyz |
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TPSS_iEDDA_L-ViFc.gbw |
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TPSS_iEDDA_L-ViFc.opt |
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TPSS_iEDDA_L-ViFc.relaxscanact.dat |
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TPSS_iEDDA_L-ViFc.relaxscanscf.dat |
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text/x-fixed-field |
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TPSS_iEDDA_L-ViFc.trj |
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application/octet-stream |
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TPSS_iEDDA_L-ViFc.xyz |
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chemical/x-xyz |
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TPSS_iEDDA_L-ViFc_property.txt |
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text/plain |
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orca.inp |
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application/octet-stream |
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orca_401.out |
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application/octet-stream |
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TPSS_iEDDA_Ph.xyz |
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chemical/x-xyz |
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TPSS_iEDDA_Ph_TightSCF.allxyz |
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application/octet-stream |
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TPSS_iEDDA_Ph_TightSCF.gbw |
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TPSS_iEDDA_Ph_TightSCF.opt |
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TPSS_iEDDA_Ph_TightSCF.prop |
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TPSS_iEDDA_Ph_TightSCF.relaxscanact.dat |
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TPSS_iEDDA_Ph_TightSCF.relaxscanscf.dat |
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TPSS_iEDDA_Ph_TightSCF.trj |
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TPSS_iEDDA_Ph_TightSCF.xyz |
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chemical/x-xyz |
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TPSS_iEDDA_Ph_TightSCF_atom75.out |
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application/octet-stream |
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TPSS_iEDDA_Ph_TightSCF_atom75_property.txt |
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text/plain |
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TPSS_iEDDA_Ph_TightSCF_property.txt |
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text/plain |
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orca.inp |
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application/octet-stream |
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orca_401.out |
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TPSS_iEDDA2_Ci.allxyz |
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TPSS_iEDDA2_Ci.relaxscanact.dat |
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TPSS_iEDDA2_Ci.relaxscanscf.dat |
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TPSS_iEDDA2_Ci.trj |
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TPSS_iEDDA2_Ci.xyz |
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TPSS_iEDDA2_Ci_atom75.out |
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application/octet-stream |
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TPSS_iEDDA2_Ci_property.txt |
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text/plain |
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orca.inp |
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application/octet-stream |
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orca_401.out |
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TPSS_iEDDA_TCO_TightSCF.allxyz |
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TPSS_iEDDA_TCO_TightSCF.gbw |
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TPSS_iEDDA_TCO_TightSCF.opt |
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TPSS_iEDDA_TCO_TightSCF.relaxscanact.dat |
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TPSS_iEDDA_TCO_TightSCF.relaxscanscf.dat |
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TPSS_iEDDA_TCO_TightSCF.trj |
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TPSS_iEDDA_TCO_TightSCF.xyz |
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chemical/x-xyz |
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TPSS_iEDDA_TCO_TightSCF_atom75.out |
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TPSS_iEDDA_TCO_TightSCF_property.txt |
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Kinetics.pdf |
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application/pdf |
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1H-NMR-1AllylTMS-zoom.pdf |
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application/pdf |
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1H-NMR-1AllylTMS.pdf |
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application/pdf |
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1H-NMR-1Ci-zoom.pdf |
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application/pdf |
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1H-NMR-1Ci.pdf |
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application/pdf |
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1H-NMR-1TCO-zoom.pdf |
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application/pdf |
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1H-NMR-1TCO.pdf |
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application/pdf |
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1H-NMR-1Vinyl-zoom.pdf |
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application/pdf |
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1H-NMR-1Vinyl.pdf |
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application/pdf |
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1H-NMR-ViFc+TzPy.pdf |
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application/pdf |
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1H-NMR_1Fc-2.pdf |
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application/pdf |
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1H-NMR_1Fc.pdf |
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1H-NMR_1PhCCH.pdf |
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1H-NMR_1Quin.pdf |
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1H-NMR_Re.pdf |
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application/pdf |
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COSY-1AllylTMS.pdf |
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application/pdf |
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COSY-1Ci.pdf |
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application/pdf |
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COSY-1Fc.pdf |
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application/pdf |
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COSY-1TCO.pdf |
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application/pdf |
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COSY-1Vinyl.pdf |
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application/pdf |
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COSY-Re.pdf |
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application/pdf |