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benzoic acid, 2-[[[[3-[(3-bromobenzoyl)amino]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, methyl ester

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benzoic acid, 2-[[[[3-[(3-bromobenzoyl)amino]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID E0xQw4A1AIj
InChI InChI=1S/C23H17BrN4O5S2/c1-33-22(32)15-7-2-3-8-16(15)25-18(29)12-35-23-26-17-9-10-34-19(17)21(31)28(23)27-20(30)13-5-4-6-14(24)11-13/h2-11H,12H2,1H3,(H,25,29)(H,27,30)
InChIKey CXYVWNNMIACCJA-UHFFFAOYSA-N
Mol Weight 573.44 g/mol
Molecular Formula C23H17BrN4O5S2
Exact Mass 571.982375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XmHkk5At4e
Name benzoic acid, 2-[[[[3-[(3-bromobenzoyl)amino]-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-2-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/C23H17BrN4O5S2/c1-33-22(32)15-7-2-3-8-16(15)25-18(29)12-35-23-26-17-9-10-34-19(17)21(31)28(23)27-20(30)13-5-4-6-14(24)11-13/h2-11H,12H2,1H3,(H,25,29)(H,27,30)
InChIKey CXYVWNNMIACCJA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6716
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/11328326