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1-Benzyl-4,4-dimethyl-2-oxobicyclo[4.2.0]octane-7-(exo)-carbonitrile
SpectraBase Compound ID HHqlWIb32VH
InChI InChI=1S/C18H21NO/c1-17(2)10-15-14(12-19)9-18(15,16(20)11-17)8-13-6-4-3-5-7-13/h3-7,14-15H,8-11H2,1-2H3
InChIKey VDGBEXUZJAGUQO-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 40wSg8GLy9U
Name 1-Benzyl-4,4-dimethyl-2-oxobicyclo[4.2.0]octane-7-(exo)-carbonitrile
Alternate Name(s) 1-benzyl-4,4-dimethyl-2-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)10-15-14(12-19)9-18(15,16(20)11-17)8-13-6-4-3-5-7-13/h3-7,14-15H,8-11H2,1-2H3
InChIKey VDGBEXUZJAGUQO-UHFFFAOYSA-N
Molecular Weight 267.372 g/mol
SMILES C12(C(CC(CC2=O)(C)C)C(C1)C#N)Cc1ccccc1
SPLASH splash10-0006-9020000000-cce07eef922c1438c9e1
Source of Spectrum I-81-421-7
Wiley ID 1517391