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2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, dimethyl ester

View entire compound with spectra: 1 NMR

2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, dimethyl ester
SpectraBase Compound ID 7siD18lMfMy
InChI InChI=1S/C21H21N3O5S3/c1-10-14(20(26)28-2)19(32-16(10)21(27)29-3)24-13(25)8-30-17-15-11-6-4-5-7-12(11)31-18(15)23-9-22-17/h9H,4-8H2,1-3H3,(H,24,25)
InChIKey YYABUEPXPIGSTA-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C21H21N3O5S3
Exact Mass 491.064334 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1KdXH1YrSsI
Name 2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[(5,6,7,8-tetrahydrobenzo[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/C21H21N3O5S3/c1-10-14(20(26)28-2)19(32-16(10)21(27)29-3)24-13(25)8-30-17-15-11-6-4-5-7-12(11)31-18(15)23-9-22-17/h9H,4-8H2,1-3H3,(H,24,25)
InChIKey YYABUEPXPIGSTA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_898
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/11228597