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

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3-thiophenecarboxylic acid, 5-bromo-4-phenyl-2-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID I8N6gIjek8e
InChI InChI=1S/C24H20BrN3O3S3/c1-31-24(30)19-17(13-7-3-2-4-8-13)20(25)34-23(19)28-16(29)11-32-21-18-14-9-5-6-10-15(14)33-22(18)27-12-26-21/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,28,29)
InChIKey USNBDMTWONPLOT-UHFFFAOYSA-N
Mol Weight 574.53 g/mol
Molecular Formula C24H20BrN3O3S3
Exact Mass 572.985018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JKx30DqHaGf
Name 3-thiophenecarboxylic acid, 5-bromo-4-phenyl-2-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, methyl 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/C24H20BrN3O3S3/c1-31-24(30)19-17(13-7-3-2-4-8-13)20(25)34-23(19)28-16(29)11-32-21-18-14-9-5-6-10-15(14)33-22(18)27-12-26-21/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,28,29)
InChIKey USNBDMTWONPLOT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1026
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/11228750