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benzoic acid, 4-[(2-[(1H-benzimidazol-2-ylmethyl)thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl]-
SpectraBase Compound ID 42miZFYyM7Y
InChI InChI=1S/C22H16N4O3S2/c27-20-19-17(9-10-30-19)25-22(26(20)11-13-5-7-14(8-6-13)21(28)29)31-12-18-23-15-3-1-2-4-16(15)24-18/h1-10H,11-12H2,(H,23,24)(H,28,29)
InChIKey PJKRYLZJHATPIE-UHFFFAOYSA-N
Mol Weight 448.52 g/mol
Molecular Formula C22H16N4O3S2
Exact Mass 448.066383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9nkWqjtzywE
Name benzoic acid, 4-[(2-[(1H-benzimidazol-2-ylmethyl)thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl]-
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/C22H16N4O3S2/c27-20-19-17(9-10-30-19)25-22(26(20)11-13-5-7-14(8-6-13)21(28)29)31-12-18-23-15-3-1-2-4-16(15)24-18/h1-10H,11-12H2,(H,23,24)(H,28,29)
InChIKey PJKRYLZJHATPIE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6724
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/11328335