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o-(methylthio)benzoic acid
SpectraBase Compound ID GCEijtZ5pHh
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34ulI1CtKpK
Name Benzoic acid, 2-(methylthio)-
Alternate Name(s) Benzoic acid, o-(methylthio)- 2-(Methylsulfanyl)benzoic acid 2-(Methylthio)benzoic acid 2-Carboxyphenyl methyl sulfide 2-Methylmercaptobenzoic acid Acide methyl-S-2-benzoique o-(Methylthio)benzoic acid BRN 0972385 NSC 104019 NSC 145347 NSC 151478 NSC 218090 NSC 221934
CAS Registry Number 3724-10-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-N
Molecular Weight 168.210 g/mol
SMILES OC(c1c(SC)cccc1)=O
SPLASH splash10-0gi0-3900000000-43b53d9eb7995ff8ae97
Source of Spectrum T-66-421-0
Wiley ID 14789