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1,3-benzenedicarboxylic acid, 5-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, dimethyl ester

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1,3-benzenedicarboxylic acid, 5-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, dimethyl ester
SpectraBase Compound ID B3agxmRzXsi
InChI InChI=1S/C21H19N3O5S2/c1-28-20(26)11-6-12(21(27)29-2)8-13(7-11)24-16(25)9-30-18-17-14-4-3-5-15(14)31-19(17)23-10-22-18/h6-8,10H,3-5,9H2,1-2H3,(H,24,25)
InChIKey WRFSZAHYXIAHLI-UHFFFAOYSA-N
Mol Weight 457.52 g/mol
Molecular Formula C21H19N3O5S2
Exact Mass 457.076613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 41qfOIS5F9n
Name 1,3-benzenedicarboxylic acid, 5-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, dimethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H19N3O5S2/c1-28-20(26)11-6-12(21(27)29-2)8-13(7-11)24-16(25)9-30-18-17-14-4-3-5-15(14)31-19(17)23-10-22-18/h6-8,10H,3-5,9H2,1-2H3,(H,24,25)
InChIKey WRFSZAHYXIAHLI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_721
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11228398