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(2S,5R)-2-(benzylthio)-5-isopropenyl-2-methyl-cyclohexanone
SpectraBase Compound ID CPplj4rA6oC
InChI InChI=1S/C17H22OS/c1-13(2)15-9-10-17(3,16(18)11-15)19-12-14-7-5-4-6-8-14/h4-8,15H,1,9-12H2,2-3H3/t15-,17+/m1/s1
InChIKey KPNITBNCHMUTLF-WBVHZDCISA-N
Mol Weight 274.42 g/mol
Molecular Formula C17H22OS
Exact Mass 274.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOr0yo3iEbZ
Name (2S,5R)-2-(benzylthio)-5-isopropenyl-2-methyl-cyclohexanone
Alternate Name(s) (2S,5R)-2-benzylsulfanyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (2S,5R)-2-methyl-2-(phenylmethylsulfanyl)-5-prop-1-en-2-yl-cyclohexan-1-one (2S,5R)-2-methyl-5-(1-methylethenyl)-2-(phenylmethylthio)-1-cyclohexanone
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Formula C17H22OS
InChI InChI=1S/C17H22OS/c1-13(2)15-9-10-17(3,16(18)11-15)19-12-14-7-5-4-6-8-14/h4-8,15H,1,9-12H2,2-3H3/t15-,17+/m1/s1
InChIKey KPNITBNCHMUTLF-WBVHZDCISA-N
Molecular Weight 274.422 g/mol
SMILES C1([C@@](SCc2ccccc2)(CC[C@](C1)(C(=C)C)[H])C)=O
SPLASH splash10-0zfu-3920000000-5a546111749527652862
Source of Spectrum K-2001-2618-50
Wiley ID 1579770