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2-(o-tolylsulfanyl)benzoic acid
SpectraBase Compound ID Gy16TMhtsOv
InChI InChI=1S/C14H12O2S/c1-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey YLXSMYHGUVJZLR-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 A3Gv9b5ySbC
Name 2-(o-tolylsulfanyl)benzoic acid
Alternate Name(s) 2-(o-tolylthio)benzoic acid 2-[(2-methylphenyl)thio]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c1-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey YLXSMYHGUVJZLR-UHFFFAOYSA-N
Molecular Weight 244.308 g/mol
SMILES OC(c1c(Sc2c(C)cccc2)cccc1)=O
SPLASH splash10-0007-3980000000-c3549c04b1e1ec6d08d2
Source of Spectrum F-48-7756-0
Wiley ID 1247030