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2-(2-Hydroxybenzyl)-3-oxocyclohex-1-enecarbonitrile
SpectraBase Compound ID GdQNPJwwjvu
InChI InChI=1S/C14H13NO2/c15-9-11-5-3-7-14(17)12(11)8-10-4-1-2-6-13(10)16/h1-2,4,6,16H,3,5,7-8H2
InChIKey ZILCCGCZKSZWKM-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nfamNAqEg1
Name 2-(2-Hydroxybenzyl)-3-oxocyclohex-1-enecarbonitrile
Alternate Name(s) 2-[(2-hydroxyphenyl)methyl]-3-oxo-1-cyclohexenecarbonitrile 2-[(2-hydroxyphenyl)methyl]-3-oxocyclohexene-1-carbonitrile 2-[(2-hydroxyphenyl)methyl]-3-oxo-cyclohexene-1-carbonitrile 2-[(2-hydroxyphenyl)methyl]-3-oxidanylidene-cyclohexene-1-carbonitrile
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Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c15-9-11-5-3-7-14(17)12(11)8-10-4-1-2-6-13(10)16/h1-2,4,6,16H,3,5,7-8H2
InChIKey ZILCCGCZKSZWKM-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES Oc1c(CC2=C(CCCC2=O)C#N)cccc1
SPLASH splash10-004i-2290000000-e47a831bb6c55e970c09
Source of Spectrum U1-2012-6459-14a
Wiley ID 1735692