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3-Methyl-4-cyanocyclohexanone
SpectraBase Compound ID Ju4deijWR88
InChI InChI=1S/C8H11NO/c1-6-4-8(10)3-2-7(6)5-9/h6-7H,2-4H2,1H3
InChIKey QJAZUEGARLFUCM-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 7qRpG9xbEjE
Name 3-Methyl-4-cyanocyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO
InChI InChI=1S/C8H11NO/c1-6-4-8(10)3-2-7(6)5-9/h6-7H,2-4H2,1H3
InChIKey QJAZUEGARLFUCM-UHFFFAOYSA-N
Molecular Weight 137.182 g/mol
SMILES C1(CC(C(CC1)C#N)C)=O
SPLASH splash10-066r-9000000000-4927ac1670505e00f571
Source of Spectrum F9-1989-350-0
Synonyms 2-Methyl-4-oxocyclohexanecarbonitrile 2-Methyl-4-oxo-1-cyclohexanecarbonitrile 2-Methyl-4-oxocyclohexane-1-carbonitrile 2-Methyl-4-oxo-cyclohexanecarbonitrile 2-Methyl-4-oxidanylidene-cyclohexane-1-carbonitrile
Wiley ID 1565998