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2-(Phenylsulfanyl)benzoic acid
SpectraBase Compound ID 4lWv2qxlHLP
InChI InChI=1S/C13H10O2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey PMLBXJKQYSENQH-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C13H10O2S
Exact Mass 230.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eh4238F8Ca5
Name 2-(Phenylsulfanyl)benzoic acid
CAS Registry Number 1527-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O2S
InChI InChI=1S/C13H10O2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey PMLBXJKQYSENQH-UHFFFAOYSA-N
Molecular Weight 230.281 g/mol
SMILES OC(=O)c1c(cccc1)Sc1ccccc1
SPLASH splash10-0019-0940000000-832baa710d0ff650b3a7
Source of Spectrum O-19-439-5
Synonyms 2-(Phenylthio)benzoic acid 2-Carboxydiphenyl sulfide Benzoic acid, o-(phenylthio)- BRN 2105456 EINECS 216-200-8 NSC 40917
Wiley ID 1231751