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2-Benzylthio-5-methyl-2,4-hexadiene
SpectraBase Compound ID 3ZtrXU7oSDA
InChI InChI=1S/C14H18S/c1-12(2)9-10-13(3)15-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3/b13-10+
InChIKey OHHUYIJTKARELV-JLHYYAGUSA-N
Mol Weight 218.36 g/mol
Molecular Formula C14H18S
Exact Mass 218.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEoBBiIS5U6
Name 2-Benzylthio-5-methyl-2,4-hexadiene
Alternate Name(s) ({[(1E)-1,4-dimethyl-1,3-pentadienyl]sulfanyl}methyl)benzene benzyl (1E)-1,4-dimethyl-1,3-pentadienyl sulfide
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Formula C14H18S
InChI InChI=1S/C14H18S/c1-12(2)9-10-13(3)15-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3/b13-10+
InChIKey OHHUYIJTKARELV-JLHYYAGUSA-N
Molecular Weight 218.358 g/mol
SMILES C(\C=C/(SCc1ccccc1)C)=C(C)C
SPLASH splash10-002f-9600000000-bb1974cdedcbcc2e0880
Source of Spectrum AJ-70-395-28
Wiley ID 774016