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1-(3-Phenylpropyl)cyclohexanecarbonitrile

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

1-(3-Phenylpropyl)cyclohexanecarbonitrile
SpectraBase Compound ID HTG2TNjR1fF
InChI InChI=1S/C16H21N/c17-14-16(11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-13H2
InChIKey JIWANTRLUUIQOF-UHFFFAOYSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LTIP5MsG0zg
Name 1-(3-Phenylpropyl)cyclohexanecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.167399680 u
Formula C16H21N
InChI InChI=1S/C16H21N/c17-14-16(11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5-7,10-13H2
InChIKey JIWANTRLUUIQOF-UHFFFAOYSA-N
Molecular Weight 227.351 g/mol
SMILES C(#N)C1(CCCC=2C=CC=CC2)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920721