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[1-(1,1-Dimethylethylcyclohexyl]molononitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

[1-(1,1-Dimethylethylcyclohexyl]molononitrile
SpectraBase Compound ID 75ip9vX85Fo
InChI InChI=1S/C13H20N2/c1-12(2,3)13(11(9-14)10-15)7-5-4-6-8-13/h11H,4-8H2,1-3H3
InChIKey CAFGQHPBKSRGFM-UHFFFAOYSA-N
Mol Weight 204.32 g/mol
Molecular Formula C13H20N2
Exact Mass 204.162649 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KPeUyW5bz7b
Name [1-(1,1-Dimethylethylcyclohexyl]molononitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.162648652 u
Formula C13H20N2
InChI InChI=1S/C13H20N2/c1-12(2,3)13(11(9-14)10-15)7-5-4-6-8-13/h11H,4-8H2,1-3H3
InChIKey CAFGQHPBKSRGFM-UHFFFAOYSA-N
Molecular Weight 204.317 g/mol
SMILES C1(C(C#N)C#N)(C(C)(C)C)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833537