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(1R,2S,5R)-2-(benzylthio)-5-isopropenyl-2-methyl-cyclohexanol
SpectraBase Compound ID Ln2tvfYcReQ
InChI InChI=1S/C17H24OS/c1-13(2)15-9-10-17(3,16(18)11-15)19-12-14-7-5-4-6-8-14/h4-8,15-16,18H,1,9-12H2,2-3H3/t15-,16-,17+/m1/s1
InChIKey SOWZYPCIVYPUHX-ZACQAIPSSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 937surJmRc5
Name (1R,2S,5R)-2-(benzylthio)-5-isopropenyl-2-methyl-cyclohexanol
Alternate Name(s) (1R,2S,5R)-2-benzylsulfanyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol (1R,2S,5R)-2-methyl-2-(phenylmethylsulfanyl)-5-prop-1-en-2-yl-cyclohexan-1-ol (1R,2S,5R)-2-methyl-5-(1-methylethenyl)-2-(phenylmethylthio)-1-cyclohexanol
Comments Less than 3 mono-isotopic peaks
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Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-13(2)15-9-10-17(3,16(18)11-15)19-12-14-7-5-4-6-8-14/h4-8,15-16,18H,1,9-12H2,2-3H3/t15-,16-,17+/m1/s1
InChIKey SOWZYPCIVYPUHX-ZACQAIPSSA-N
Molecular Weight 276.438 g/mol
SMILES O[C@]1([C@@](SCc2ccccc2)(CC[C@@](C(=C)C)(C1)[H])C)[H]
SPLASH splash10-000i-0920000000-b2a3539f79c779b7de9d
Source of Spectrum K-2001-2618-51
Wiley ID 1579769