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2-Methyl-4-cyanocyclohexanone
SpectraBase Compound ID CrSIAmFXCxr
InChI InChI=1S/C8H11NO/c1-6-4-7(5-9)2-3-8(6)10/h6-7H,2-4H2,1H3
InChIKey KUIKWPYALRNSEB-UHFFFAOYSA-N
Mol Weight 137.18 g/mol
Molecular Formula C8H11NO
Exact Mass 137.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35TcXUb8wy
Name 2-Methyl-4-cyanocyclohexanone
Alternate Name(s) 3-Methyl-4-oxocyclohexanecarbonitrile 3-Methyl-4-oxo-1-cyclohexanecarbonitrile 3-Methyl-4-oxocyclohexane-1-carbonitrile 3-Methyl-4-oxo-cyclohexanecarbonitrile 3-Methyl-4-oxidanylidene-cyclohexane-1-carbonitrile
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Formula C8H11NO
InChI InChI=1S/C8H11NO/c1-6-4-7(5-9)2-3-8(6)10/h6-7H,2-4H2,1H3
InChIKey KUIKWPYALRNSEB-UHFFFAOYSA-N
Molecular Weight 137.182 g/mol
SMILES C1(C(CC(CC1)C#N)C)=O
SPLASH splash10-0aor-9100000000-93311e043f607c993bfc
Source of Spectrum F9-1989-350-0
Wiley ID 1565999