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3-Cyano-2,4,4-trimethyl-2-cyclohexenone

View entire compound with spectra: 9 NMR, and 2 MS (GC)

3-Cyano-2,4,4-trimethyl-2-cyclohexenone
SpectraBase Compound ID J7bycQm2NsM
InChI InChI=1S/C10H13NO/c1-7-8(6-11)10(2,3)5-4-9(7)12/h4-5H2,1-3H3
InChIKey INYFORYUOHLNGE-UHFFFAOYSA-N
Mol Weight 163.22 g/mol
Molecular Formula C10H13NO
Exact Mass 163.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GS6a0NhCdtA
Name 2,6,6-trimethyl-3-oxidanylidene-cyclohexene-1-carbonitrile
Alternate Name(s) 2,6,6-trimethyl-3-oxo-1-cyclohexenecarbonitrile 2,6,6-trimethyl-3-oxo-cyclohexene-1-carbonitrile 3-keto-2,6,6-trimethyl-cyclohexene-1-carbonitrile
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Formula C10H13NO
InChI InChI=1S/C10H13NO/c1-7-8(6-11)10(2,3)5-4-9(7)12/h4-5H2,1-3H3
InChIKey INYFORYUOHLNGE-UHFFFAOYSA-N
Molecular Weight 163.220 g/mol
SMILES C1CC(C(=C(C1=O)C)C#N)(C)C
SPLASH splash10-0100-9500000000-240ced0a05c312eb57a4
Wiley ID 1471868