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7-exo-(Phenylthio)-1-methyl-4-isopropenylbicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID J2ChzPIFpuY
InChI InChI=1S/C17H20OS/c1-11(2)12-9-14-16(17(14,3)15(18)10-12)19-13-7-5-4-6-8-13/h4-8,12,14,16H,1,9-10H2,2-3H3
InChIKey ODUGIOJIJSGELO-UHFFFAOYSA-N
Mol Weight 272.41 g/mol
Molecular Formula C17H20OS
Exact Mass 272.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZiC8MLbKUQ
Name 7-exo-(Phenylthio)-1-methyl-4-isopropenylbicyclo[4.1.0]heptan-2-one
Alternate Name(s) 4-isopropenyl-1-methyl-7-(phenylsulfanyl)bicyclo[4.1.0]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20OS
InChI InChI=1S/C17H20OS/c1-11(2)12-9-14-16(17(14,3)15(18)10-12)19-13-7-5-4-6-8-13/h4-8,12,14,16H,1,9-10H2,2-3H3
InChIKey ODUGIOJIJSGELO-UHFFFAOYSA-N
Molecular Weight 272.406 g/mol
SMILES C12(C(CC(CC2=O)C(=C)C)C1Sc1ccccc1)C
SPLASH splash10-03k9-0980000000-e69d789027b7a9ed52fc
Source of Spectrum C-105-2813-0
Wiley ID 1276417