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2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid
SpectraBase Compound ID IdzHboPaiEl
InChI InChI=1S/C16H14O3S/c1-11-6-8-12(9-7-11)14(17)10-20-15-5-3-2-4-13(15)16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKey DEEGCOZZZOJFEJ-UHFFFAOYSA-N
Mol Weight 286.34 g/mol
Molecular Formula C16H14O3S
Exact Mass 286.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95cFyuM3Jx9
Name 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid
Alternate Name(s) 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylbenzoic acid 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]benzoic acid 2-[[2-keto-2-(p-tolyl)ethyl]thio]benzoic acid
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Formula C16H14O3S
InChI InChI=1S/C16H14O3S/c1-11-6-8-12(9-7-11)14(17)10-20-15-5-3-2-4-13(15)16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKey DEEGCOZZZOJFEJ-UHFFFAOYSA-N
Molecular Weight 286.345 g/mol
SMILES OC(c1c(SCC(c2ccc(C)cc2)=O)cccc1)=O
SPLASH splash10-00or-5920000000-956993177a85213c0922
Wiley ID 1456916