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3-(2-Methylphenylthio)butanoic acid
SpectraBase Compound ID KKWQvRqJuye
InChI InChI=1S/C11H14O2S/c1-8-5-3-4-6-10(8)14-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey RLXXVKQDYHOVLF-UHFFFAOYSA-N
Mol Weight 210.29 g/mol
Molecular Formula C11H14O2S
Exact Mass 210.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OpXvMLkf2
Name 3-(2-Methylphenylthio)butanoic acid
Alternate Name(s) 3-[(2-methylphenyl)sulfanyl]butanoic acid 3-[(2-methylphenyl)thio]butanoic acid 3-(o-tolylsulfanyl)butanoic acid 3-(2-Methylphenyl)sulfanylbutanoic acid
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Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-8-5-3-4-6-10(8)14-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey RLXXVKQDYHOVLF-UHFFFAOYSA-N
Molecular Weight 210.291 g/mol
SMILES OC(CC(C)Sc1c(cccc1)C)=O
SPLASH splash10-006y-9630000000-cf01df3bf993197d1f1a
Source of Spectrum SO-0-84-2
Wiley ID 1542868