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3-Mercapto-1-phenylbut-2-en-1-one
SpectraBase Compound ID DUs2Fo9Bpor
InChI InChI=1S/C10H10OS/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-7,12H,1H3/b8-7-
InChIKey RKHRNKOTBONQAO-FPLPWBNLSA-N
Mol Weight 178.25 g/mol
Molecular Formula C10H10OS
Exact Mass 178.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFa0yhuCeWS
Name 3-Mercapto-1-phenylbut-2-en-1-one
Alternate Name(s) (Z)-3-mercapto-1-phenyl-2-buten-1-one (Z)-1-phenyl-3-sulfanylbut-2-en-1-one (Z)-1-phenyl-3-sulfanyl-but-2-en-1-one
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Formula C10H10OS
InChI InChI=1S/C10H10OS/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-7,12H,1H3/b8-7-
InChIKey RKHRNKOTBONQAO-FPLPWBNLSA-N
Molecular Weight 178.249 g/mol
SMILES S\C(C)=C/C(=O)c1ccccc1
SPLASH splash10-056r-6900000000-bdb7432e2d3b377dff26
Source of Spectrum JX-2012-747
Wiley ID 1661193