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2-(m-tolylsulfanyl)benzoic acid
SpectraBase Compound ID JCnvz2xd4Ur
InChI InChI=1S/C14H12O2S/c1-10-5-4-6-11(9-10)17-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey MACQTAIPPIPIPH-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C14H12O2S
Exact Mass 244.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdAOoyL0D5j
Name 2-(m-tolylsulfanyl)benzoic acid
Alternate Name(s) 2-(m-tolylthio)benzoic acid 2-[(3-methylphenyl)thio]benzoic acid
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Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c1-10-5-4-6-11(9-10)17-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey MACQTAIPPIPIPH-UHFFFAOYSA-N
Molecular Weight 244.308 g/mol
SMILES OC(c1c(Sc2cc(C)ccc2)cccc1)=O
SPLASH splash10-0006-0690000000-74a5bb5e8acf1c01ab66
Source of Spectrum F-48-7756-0
Wiley ID 1247031