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6-Benzyl-3,3-dimethyl-5-oxobicyclo[4.2.0]octane-7-(exo)-carbonitrile
SpectraBase Compound ID 7QSuRuyRVFy
InChI InChI=1S/C18H21NO/c1-17(2)10-14-8-15(12-19)18(14,16(20)11-17)9-13-6-4-3-5-7-13/h3-7,14-15H,8-11H2,1-2H3
InChIKey KSGIIRWNSUDIFJ-UHFFFAOYSA-N
Mol Weight 267.37 g/mol
Molecular Formula C18H21NO
Exact Mass 267.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBylnP8ByIb
Name 6-Benzyl-3,3-dimethyl-5-oxobicyclo[4.2.0]octane-7-(exo)-carbonitrile
Alternate Name(s) 6-benzyl-3,3-dimethyl-5-oxobicyclo[4.2.0]octane-7-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO
InChI InChI=1S/C18H21NO/c1-17(2)10-14-8-15(12-19)18(14,16(20)11-17)9-13-6-4-3-5-7-13/h3-7,14-15H,8-11H2,1-2H3
InChIKey KSGIIRWNSUDIFJ-UHFFFAOYSA-N
Molecular Weight 267.372 g/mol
SMILES C12(C(CC(CC2CC1C#N)(C)C)=O)Cc1ccccc1
SPLASH splash10-00kf-9050000000-5d5e174caedce27b8156
Source of Spectrum I-81-421-6
Wiley ID 1517392