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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 KTxLGvaMRLw
Name Cyclohexanecarbonitrile
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
Literature Reference DOI 10.1021/jo401945r
Molecular Weight 109.172 g/mol
SMILES C1CC(CCC1)C#N
SPLASH splash10-0a4i-9100000000-3d8b9e812115296916ca
Source of Spectrum J-78-10570-Table1,Entry9
Synonyms Cyanocyclohexane Cyclohexanecarboxylic acid nitrile Cyclohexanecarboxylic acid nitrite Cyclohexyl cyanide Hexahydrobenzonitril Hexahydrobenzonitrile EINECS 212-157-4
Wiley ID 1747315