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2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoic acid

View entire compound with spectra: 1 NMR

2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoic acid
SpectraBase Compound ID AB9SmLYZ4uJ
InChI InChI=1S/C17H16N2O2S/c1-11-6-8-12(9-7-11)10-15(16(20)21)22-17-18-13-4-2-3-5-14(13)19-17/h2-9,15H,10H2,1H3,(H,18,19)(H,20,21)
InChIKey QATPKVVHVNKVMB-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C17H16N2O2S
Exact Mass 312.093249 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HaipomCOIa5
Name 2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-methylphenyl)propanoic 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/C17H16N2O2S/c1-11-6-8-12(9-7-11)10-15(16(20)21)22-17-18-13-4-2-3-5-14(13)19-17/h2-9,15H,10H2,1H3,(H,18,19)(H,20,21)
InChIKey QATPKVVHVNKVMB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7959
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: 9686565; UBI_ID: UBI-007962
Temperature 313 °C