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Bicyclo[4.1.0]heptane, 1-(3-oxo-4-phenylthiobutyl)-2,2,6-trimethyl-
SpectraBase Compound ID oyNhURORoK
InChI InChI=1S/C20H28OS/c1-18(2)11-7-12-19(3)15-20(18,19)13-10-16(21)14-22-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3
InChIKey NUAWMBSKXHOMKY-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C20H28OS
Exact Mass 316.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n0w9JzKmjk
Name Bicyclo[4.1.0]heptane, 1-(3-oxo-4-phenylthiobutyl)-2,2,6-trimethyl-
Alternate Name(s) 1-(Phenylsulfanyl)-4-(2,2,6-trimethylbicyclo[4.1.0]hept-1-yl)-2-butanone 1-(Phenylthio)-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)-2-butanone 1-(Phenylthio)-4-(2,2,6-trimethylnorcaran-1-yl)butan-2-one 1-Phenylsulfanyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)butan-2-one 1-Phenylsulfanyl-4-(2,2,6-trimethylnorcaran-1-yl)butan-2-one
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Formula C20H28OS
InChI InChI=1S/C20H28OS/c1-18(2)11-7-12-19(3)15-20(18,19)13-10-16(21)14-22-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3
InChIKey NUAWMBSKXHOMKY-UHFFFAOYSA-N
Molecular Weight 316.503 g/mol
SMILES C1CC(C)(C)C2(CCC(CSc3ccccc3)=O)C(C2)(C1)C
SPLASH splash10-0gi0-7900000000-ab11617f2d643629d1fb
Wiley ID 1479531