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Cyclohexanecarbonitrile

View entire compound with spectra: 24 NMR, 4 FTIR, 4 MS (GC), and 2 Near IR

Cyclohexanecarbonitrile
SpectraBase Compound ID 9DKSjGlDvD3
InChI InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey VBWIZSYFQSOUFQ-UHFFFAOYSA-N
Mol Weight 109.17 g/mol
Molecular Formula C7H11N
Exact Mass 109.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YWVqcchbF1
Name Cyclohexanecarbonitrile
Alternate Name(s) Cyanocyclohexane Cyclohexanecarboxylic acid nitrile Cyclohexanecarboxylic acid nitrite Cyclohexyl cyanide Hexahydrobenzonitril Hexahydrobenzonitrile EINECS 212-157-4
CAS Registry Number 766-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11N
InChI InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey VBWIZSYFQSOUFQ-UHFFFAOYSA-N
Molecular Weight 109.172 g/mol
SMILES C(#N)C1CCCCC1
SPLASH splash10-0pbc-9100000000-c4aaedf19265a4f3c83a
Source of Spectrum J-55-1074-7
Wiley ID 1122184