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trans-1-((Phenylthio)methyl)-2-(2-propenyl)cyclohexane
SpectraBase Compound ID D7WNwRwZFsq
InChI InChI=1S/C16H22S/c1-13(2)16-11-7-6-8-14(16)12-17-15-9-4-3-5-10-15/h3-5,9-10,14,16H,1,6-8,11-12H2,2H3/t14-,16-/m1/s1
InChIKey KLWDROIWQGOIMG-GDBMZVCRSA-N
Mol Weight 246.41 g/mol
Molecular Formula C16H22S
Exact Mass 246.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28WmNH2n7h0
Name trans-1-((Phenylthio)methyl)-2-(2-propenyl)cyclohexane
Alternate Name(s) ({[(1R,2S)-2-allylcyclohexyl]methyl}sulfanyl)benzene [(1R,2S)-2-allylcyclohexyl]methyl phenyl sulfide [[(1S,2S)-2-(1-methylethenyl)cyclohexyl]methylthio]benzene [(1S,2S)-2-isopropenylcyclohexyl]methylsulfanylbenzene [(1S,2S)-2-prop-1-en-2-ylcyclohexyl]methylsulfanylbenzene
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Formula C16H22S
InChI InChI=1S/C16H22S/c1-13(2)16-11-7-6-8-14(16)12-17-15-9-4-3-5-10-15/h3-5,9-10,14,16H,1,6-8,11-12H2,2H3/t14-,16-/m1/s1
InChIKey KLWDROIWQGOIMG-GDBMZVCRSA-N
Molecular Weight 246.412 g/mol
SMILES C([C@@]1([C@@](CSc2ccccc2)(CCCC1)[H])[H])(=C)C
SPLASH splash10-00yi-9700000000-d2be2749f75d62b5a735
Source of Spectrum J-61-501-3
Wiley ID 1249472