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

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1,4-benzenedicarboxylic acid, 2-[[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, dimethyl ester
SpectraBase Compound ID HKeVfj5b6cx
InChI InChI=1S/C22H21N3O5S2/c1-11-23-19(18-14-5-4-6-16(14)32-20(18)24-11)31-10-17(26)25-15-9-12(21(27)29-2)7-8-13(15)22(28)30-3/h7-9H,4-6,10H2,1-3H3,(H,25,26)
InChIKey KHJMRWZAHMMZLX-UHFFFAOYSA-N
Mol Weight 471.55 g/mol
Molecular Formula C22H21N3O5S2
Exact Mass 471.092263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GnJ1wBaxZ0K
Name 1,4-benzenedicarboxylic acid, 2-[[[(6,7-dihydro-2-methyl-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/C22H21N3O5S2/c1-11-23-19(18-14-5-4-6-16(14)32-20(18)24-11)31-10-17(26)25-15-9-12(21(27)29-2)7-8-13(15)22(28)30-3/h7-9H,4-6,10H2,1-3H3,(H,25,26)
InChIKey KHJMRWZAHMMZLX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_988
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/11228706