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Bicyclo[4.1.0]heptane, 1-(3-oxo-2-phenylthiobutyl)-2,2,6-trimethyl-
SpectraBase Compound ID 3ZzChJzUnTg
InChI InChI=1S/C20H28OS/c1-15(21)17(22-16-9-6-5-7-10-16)13-20-14-19(20,4)12-8-11-18(20,2)3/h5-7,9-10,17H,8,11-14H2,1-4H3
InChIKey MGMJUFSTPXQANC-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 CLLws9cK2nE
Name Bicyclo[4.1.0]heptane, 1-(3-oxo-2-phenylthiobutyl)-2,2,6-trimethyl-
Alternate Name(s) 3-(Phenylsulfanyl)-4-(2,2,6-trimethylbicyclo[4.1.0]hept-1-yl)-2-butanone 3-(Phenylthio)-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)-2-butanone 3-(Phenylthio)-4-(2,2,6-trimethylnorcaran-1-yl)butan-2-one 3-Phenylsulfanyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)butan-2-one 3-Phenylsulfanyl-4-(2,2,6-trimethylnorcaran-1-yl)butan-2-one
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Formula C20H28OS
InChI InChI=1S/C20H28OS/c1-15(21)17(22-16-9-6-5-7-10-16)13-20-14-19(20,4)12-8-11-18(20,2)3/h5-7,9-10,17H,8,11-14H2,1-4H3
InChIKey MGMJUFSTPXQANC-UHFFFAOYSA-N
Molecular Weight 316.503 g/mol
SMILES C1CC(C)(C)C2(CC(Sc3ccccc3)C(C)=O)C(C2)(C1)C
SPLASH splash10-014i-8910000000-c7781bac4aa1ad1eefda
Wiley ID 1479532