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Benzene, [(2-ethylidene-5-methylhexyl)thio]-, (E)-
SpectraBase Compound ID BrOBJyWhoUS
InChI InChI=1S/C15H22S/c1-4-14(11-10-13(2)3)12-16-15-8-6-5-7-9-15/h4-9,13H,10-12H2,1-3H3/b14-4+
InChIKey AXOLLYMNJZIHKW-LNKIKWGQSA-N
Mol Weight 234.4 g/mol
Molecular Formula C15H22S
Exact Mass 234.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUh67yfiwQj
Name Benzene, [(2-ethylidene-5-methylhexyl)thio]-, (E)-
Alternate Name(s) (2E)-2-isopentyl-2-butenyl phenyl sulfide 6-Methyl-3-(phenylthiomethyl)hept-2-ene {[(2E)-2-isopentyl-2-butenyl]sulfanyl}benzene
CAS Registry Number 77412-09-0
Comments Less than 3 mono-isotopic peaks
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Formula C15H22S
InChI InChI=1S/C15H22S/c1-4-14(11-10-13(2)3)12-16-15-8-6-5-7-9-15/h4-9,13H,10-12H2,1-3H3/b14-4+
InChIKey AXOLLYMNJZIHKW-LNKIKWGQSA-N
Molecular Weight 234.401 g/mol
SMILES C\C=C\(CSc1ccccc1)CCC(C)C
SPLASH splash10-08gi-0940000000-c9275aad1c16c76a77c2
Source of Spectrum KC-1981-260-0
Wiley ID 1236524