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3-(p-tolylsulfanyl)butanoic acid
SpectraBase Compound ID 7Q9e3lE43wN
InChI InChI=1S/C11H14O2S/c1-8-3-5-10(6-4-8)14-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey SRSKYEWWCDTDEL-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 GABlwjBMn29
Name 3-(p-tolylsulfanyl)butanoic acid
Alternate Name(s) 3-(p-tolylthio)butyric acid 3-[(4-methylphenyl)thio]butanoic acid
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Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-8-3-5-10(6-4-8)14-9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey SRSKYEWWCDTDEL-UHFFFAOYSA-N
Molecular Weight 210.291 g/mol
SMILES OC(CC(C)Sc1ccc(cc1)C)=O
SPLASH splash10-0229-3940000000-257f1cfa44415e4fc890
Source of Spectrum SO-0-84-2
Wiley ID 1542874