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2-Cyano-2-n-hexylcyclohexanone

View entire compound with spectra: 1 MS (GC)

2-Cyano-2-n-hexylcyclohexanone
SpectraBase Compound ID FvwI0veUOpM
InChI InChI=1S/C13H21NO/c1-2-3-4-6-9-13(11-14)10-7-5-8-12(13)15/h2-10H2,1H3
InChIKey KQKCSHNALYBDAT-UHFFFAOYSA-N
Mol Weight 207.32 g/mol
Molecular Formula C13H21NO
Exact Mass 207.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ixoMab61sj
Name 2-Cyano-2-n-hexylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO
InChI InChI=1S/C13H21NO/c1-2-3-4-6-9-13(11-14)10-7-5-8-12(13)15/h2-10H2,1H3
InChIKey KQKCSHNALYBDAT-UHFFFAOYSA-N
Molecular Weight 207.317 g/mol
SMILES C1(C(CCCC1)(CCCCCC)C#N)=O
SPLASH splash10-00di-6900000000-a6355f5ef0d9c425d24b
Source of Spectrum SO-0-727-4
Synonyms 1-Hexyl-2-oxocyclohexanecarbonitrile 1-Hexyl-2-oxo-1-cyclohexanecarbonitrile 1-Hexyl-2-oxocyclohexane-1-carbonitrile 1-Hexyl-2-oxo-cyclohexanecarbonitrile 1-Hexyl-2-oxidanylidene-cyclohexane-1-carbonitrile
Wiley ID 1544333