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1-[1-(4-methylthio)hexylidene]-4-phenylcyclohexane
SpectraBase Compound ID KGv7NSSNqwV
InChI InChI=1S/C19H28S/c1-3-19(20-2)11-7-8-16-12-14-18(15-13-16)17-9-5-4-6-10-17/h4-6,8-10,18-19H,3,7,11-15H2,1-2H3/b16-8-
InChIKey ZBZPGXJXVTZVGS-PXNMLYILSA-N
Mol Weight 288.49 g/mol
Molecular Formula C19H28S
Exact Mass 288.191172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je9L91Astsg
Name 1-[1-(4-methylthio)hexylidene]-4-phenylcyclohexane
Alternate Name(s) 1-ethyl-4-(4-phenylcyclohexylidene)butyl methyl sulfide {4-[4-(Methylsulfanyl)hexylidene]cyclohexyl}benzene
CAS Registry Number 113035-73-7
Comments Less than 3 mono-isotopic peaks
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Formula C19H28S
InChI InChI=1S/C19H28S/c1-3-19(20-2)11-7-8-16-12-14-18(15-13-16)17-9-5-4-6-10-17/h4-6,8-10,18-19H,3,7,11-15H2,1-2H3/b16-8-
InChIKey ZBZPGXJXVTZVGS-PXNMLYILSA-N
Molecular Weight 288.493 g/mol
SMILES C1(=CCCC(SC)CC)CCC(CC1)c1ccccc1
SPLASH splash10-000i-0090000000-5481ab2cf1b8b6fce145
Source of Spectrum K-121-1041-5
Wiley ID 1292131