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benzamide, 3-bromo-N-(2-[[(3-methylphenyl)methyl]thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-
SpectraBase Compound ID FRBYs4SmR1D
InChI InChI=1S/C21H16BrN3O2S2/c1-13-4-2-5-14(10-13)12-29-21-23-17-8-9-28-18(17)20(27)25(21)24-19(26)15-6-3-7-16(22)11-15/h2-11H,12H2,1H3,(H,24,26)
InChIKey KTRMWSMKSQVMKB-UHFFFAOYSA-N
Mol Weight 486.4 g/mol
Molecular Formula C21H16BrN3O2S2
Exact Mass 484.986732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gb5zHRugpN6
Name benzamide, 3-bromo-N-(2-[[(3-methylphenyl)methyl]thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-
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/C21H16BrN3O2S2/c1-13-4-2-5-14(10-13)12-29-21-23-17-8-9-28-18(17)20(27)25(21)24-19(26)15-6-3-7-16(22)11-15/h2-11H,12H2,1H3,(H,24,26)
InChIKey KTRMWSMKSQVMKB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6719
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/11328329