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benzoic acid, 4-[[[[3-(4-bromophenyl)-3,4,6,7-tetrahydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, ethyl ester

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benzoic acid, 4-[[[[3-(4-bromophenyl)-3,4,6,7-tetrahydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID LHWPl6GmT5h
InChI InChI=1S/C23H20BrN3O4S2/c1-2-31-22(30)14-3-7-16(8-4-14)25-19(28)13-33-23-26-18-11-12-32-20(18)21(29)27(23)17-9-5-15(24)6-10-17/h3-10H,2,11-13H2,1H3,(H,25,28)
InChIKey ISDLUAWJYPYBLQ-UHFFFAOYSA-N
Mol Weight 546.45 g/mol
Molecular Formula C23H20BrN3O4S2
Exact Mass 545.007861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7CtSorrhAnS
Name benzoic acid, 4-[[[[3-(4-bromophenyl)-3,4,6,7-tetrahydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]amino]-, ethyl 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/C23H20BrN3O4S2/c1-2-31-22(30)14-3-7-16(8-4-14)25-19(28)13-33-23-26-18-11-12-32-20(18)21(29)27(23)17-9-5-15(24)6-10-17/h3-10H,2,11-13H2,1H3,(H,25,28)
InChIKey ISDLUAWJYPYBLQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5430
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/10257074; Labnumber: F0513-0127