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3-(4-Cyanophenyl)-2-cyclohexen-1-one
SpectraBase Compound ID 4plXt0syVRz
InChI InChI=1S/C13H11NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-8H,1-3H2
InChIKey WOUZSJJBQYTGEB-UHFFFAOYSA-N
Mol Weight 197.24 g/mol
Molecular Formula C13H11NO
Exact Mass 197.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IG0mtYYa0K5
Name 4-(3-ketocyclohexen-1-yl)benzonitrile
Alternate Name(s) 4-(3-oxidanylidenecyclohexen-1-yl)benzenecarbonitrile 4-(3-oxo-1-cyclohexenyl)benzonitrile 4-(3-oxocyclohexen-1-yl)benzonitrile
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Formula C13H11NO
InChI InChI=1S/C13H11NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-8H,1-3H2
InChIKey WOUZSJJBQYTGEB-UHFFFAOYSA-N
Molecular Weight 197.237 g/mol
SMILES C(c1ccc(cc1)C1=CC(CCC1)=O)#N
SPLASH splash10-014l-0900000000-a9ef436af76b5df6617e
Source of Spectrum F-52-7216-14
Wiley ID 796632