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2-{[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]carbonyl}benzoic acid
SpectraBase Compound ID AP6mS8jLN53
InChI InChI=1S/C22H16N2O3S/c25-20(16-10-4-5-11-17(16)21(26)27)24-19-13-7-6-12-18(19)23-22(24)28-14-15-8-2-1-3-9-15/h1-13H,14H2,(H,26,27)
InChIKey LQODFICRIBDBJG-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C22H16N2O3S
Exact Mass 388.088164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID N2Ai2KwdOu
Name 2-{[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]carbonyl}benzoic acid
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/C22H16N2O3S/c25-20(16-10-4-5-11-17(16)21(26)27)24-19-13-7-6-12-18(19)23-22(24)28-14-15-8-2-1-3-9-15/h1-13H,14H2,(H,26,27)
InChIKey LQODFICRIBDBJG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8352
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: 128588; Labnumber: EX00124821; VK_ID: VK-008356
Temperature 318 °C