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2-(1H-benzimidazol-2-ylsulfanyl)-2-chloranyl-ethanoic acid
SpectraBase Compound ID GzjqYwIC06O
InChI InChI=1S/C9H7ClN2O2S/c10-7(8(13)14)15-9-11-5-3-1-2-4-6(5)12-9/h1-4,7H,(H,11,12)(H,13,14)
InChIKey CWNHGSFBDAJDFY-UHFFFAOYSA-N
Mol Weight 242.68 g/mol
Molecular Formula C9H7ClN2O2S
Exact Mass 241.991676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxKYMRTokD9
Name 2-(1H-benzimidazol-2-ylsulfanyl)-2-chloranyl-ethanoic acid
CAS Registry Number 63532-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7ClN2O2S
InChI InChI=1S/C9H7ClN2O2S/c10-7(8(13)14)15-9-11-5-3-1-2-4-6(5)12-9/h1-4,7H,(H,11,12)(H,13,14)
InChIKey CWNHGSFBDAJDFY-UHFFFAOYSA-N
Molecular Weight 242.680 g/mol
SMILES [nH]1c2ccccc2nc1SC(C(=O)O)Cl
SPLASH splash10-000i-9660000000-ff31e75af697b9016bd8
Source of Spectrum Y-14-457-0
Synonyms 2-(1H-benzimidazol-2-ylsulfanyl)-2-chloro-acetic acid 2-(1H-benzimidazol-2-ylthio)-2-chloro-acetic acid 2-(1H-benzimidazol-2-ylthio)-2-chloroacetic acid
Wiley ID 1244504