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1,3-benzenedicarboxylic acid, 5-[[[(5,6,7,8-tetrahydro-2-methylbenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, diethyl ester

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1,3-benzenedicarboxylic acid, 5-[[[(5,6,7,8-tetrahydro-2-methylbenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, diethyl ester
SpectraBase Compound ID 7aQrPHloqJ7
InChI InChI=1S/C25H27N3O5S2/c1-4-32-24(30)15-10-16(25(31)33-5-2)12-17(11-15)28-20(29)13-34-22-21-18-8-6-7-9-19(18)35-23(21)27-14(3)26-22/h10-12H,4-9,13H2,1-3H3,(H,28,29)
InChIKey BXSKMERTALZTTE-UHFFFAOYSA-N
Mol Weight 513.63 g/mol
Molecular Formula C25H27N3O5S2
Exact Mass 513.139213 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDFTZzlWYJC
Name 1,3-benzenedicarboxylic acid, 5-[[[(5,6,7,8-tetrahydro-2-methylbenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, diethyl 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/C25H27N3O5S2/c1-4-32-24(30)15-10-16(25(31)33-5-2)12-17(11-15)28-20(29)13-34-22-21-18-8-6-7-9-19(18)35-23(21)27-14(3)26-22/h10-12H,4-9,13H2,1-3H3,(H,28,29)
InChIKey BXSKMERTALZTTE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_991
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/11228709