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2-[({5-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)carbonyl]benzoic acid
SpectraBase Compound ID KgVpuU4zIMh
InChI InChI=1S/C18H13N5O3S2/c24-15(10-5-1-2-6-11(10)16(25)26)21-17-22-23-18(28-17)27-9-14-19-12-7-3-4-8-13(12)20-14/h1-8H,9H2,(H,19,20)(H,25,26)(H,21,22,24)
InChIKey NRPQLUBRYIWGAQ-UHFFFAOYSA-N
Mol Weight 411.45 g/mol
Molecular Formula C18H13N5O3S2
Exact Mass 411.045982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BcCzYRHgaN1
Name 2-[({5-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)carbonyl]benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H13N5O3S2/c24-15(10-5-1-2-6-11(10)16(25)26)21-17-22-23-18(28-17)27-9-14-19-12-7-3-4-8-13(12)20-14/h1-8H,9H2,(H,19,20)(H,25,26)(H,21,22,24)
InChIKey NRPQLUBRYIWGAQ-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2205
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: ZI/9049262; Labnumber: LP-0610474