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3-Methyl-1(E)-3butadienyl benzyl sulfide
SpectraBase Compound ID BUlP8yj2PNb
InChI InChI=1S/C12H14S/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8+
InChIKey KGVNKOPLOKVUBC-CMDGGOBGSA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TZTmB7qfx9
Name 3-Methyl-1(E)-3butadienyl benzyl sulfide
Alternate Name(s) ({[(1E)-3-methyl-1,3-butadienyl]sulfanyl}methyl)benzene benzyl (1E)-3-methyl-1,3-butadienyl sulfide
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Formula C12H14S
InChI InChI=1S/C12H14S/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8+
InChIKey KGVNKOPLOKVUBC-CMDGGOBGSA-N
Molecular Weight 190.304 g/mol
SMILES C(\C=C\SCc1ccccc1)(=C)C
SPLASH splash10-0005-9000000000-af4bdfac3ebe64733585
Source of Spectrum SO-0-627-5
Wiley ID 1537991