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4-(p-Cyanobenzyl)cyclohex-2-en-1-one
SpectraBase Compound ID FpAfoC11hje
InChI InChI=1S/C14H13NO/c15-10-13-3-1-11(2-4-13)9-12-5-7-14(16)8-6-12/h1-5,7,12H,6,8-9H2
InChIKey HQVJJAGTXAEKTC-UHFFFAOYSA-N
Mol Weight 211.26 g/mol
Molecular Formula C14H13NO
Exact Mass 211.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EynrFx94DaF
Name 4-(p-Cyanobenzyl)cyclohex-2-en-1-one
Alternate Name(s) 4-[(4-oxo-2-cyclohexen-1-yl)methyl]benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C14H13NO
InChI InChI=1S/C14H13NO/c15-10-13-3-1-11(2-4-13)9-12-5-7-14(16)8-6-12/h1-5,7,12H,6,8-9H2
InChIKey HQVJJAGTXAEKTC-UHFFFAOYSA-N
Molecular Weight 211.264 g/mol
SMILES C(#N)c1ccc(cc1)CC1C=CC(CC1)=O
SPLASH splash10-014i-0930000000-c3a5f7c45587b304d928
Source of Spectrum F-54-6440-24
Wiley ID 807444