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3-(1-Phenyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(1-Phenyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
SpectraBase Compound ID EbreEMhgi4J
InChI InChI=1S/C16H14N2O2S/c19-15(20)10-11-21-16-17-13-8-4-5-9-14(13)18(16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKey HFLGGTJGUAXRRC-UHFFFAOYSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iAm3K7Z0gO
Name 3-(1-Phenyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c19-15(20)10-11-21-16-17-13-8-4-5-9-14(13)18(16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKey HFLGGTJGUAXRRC-UHFFFAOYSA-N
Molecular Weight 298.360 g/mol
SMILES OC(CCSc1[n](c2ccccc2n1)-c1ccccc1)=O
SPLASH splash10-004i-7690000000-4791234e1b6ce5bbe978
Synonyms 3-(1-phenylbenzimidazol-2-yl)sulfanylpropanoic acid 3-[(1-Phenyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid 3-[(1-phenyl-2-benzimidazolyl)thio]propanoic acid 3-[(1-phenylbenzimidazol-2-yl)thio]propionic acid
Wiley ID 1454439