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4-(2-Oxo-cyclohexylidenemethyl)-benzonitrile
SpectraBase Compound ID C9owHnwIDdv
InChI InChI=1S/C14H13NO/c15-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16/h5-9H,1-4H2/b13-9+
InChIKey NALJLPMCDIOCPH-UKTHLTGXSA-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 1vWXgua8hUv
Name 4-(2-Oxo-cyclohexylidenemethyl)-benzonitrile
Alternate Name(s) (E)-4-((2-oxocyclohexylidene)methyl)benzonitrile
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Formula C14H13NO
InChI InChI=1S/C14H13NO/c15-10-12-7-5-11(6-8-12)9-13-3-1-2-4-14(13)16/h5-9H,1-4H2/b13-9+
InChIKey NALJLPMCDIOCPH-UKTHLTGXSA-N
Literature Reference DOI 10.1021/ol702996t
Molecular Weight 211.264 g/mol
SMILES C1C(\C(=C\c2ccc(cc2)C#N)CCC1)=O
SPLASH splash10-03xr-5390000000-b44e42e30175b3ed3663
Source of Spectrum A1-10-869/SMS7-1k
Wiley ID 1759125