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3-Cyclohexyl-2-oxo-3-phenylcyclohexanecarbonitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-Cyclohexyl-2-oxo-3-phenylcyclohexanecarbonitrile
SpectraBase Compound ID 5XTT5YKQTY4
InChI InChI=1S/C19H23NO/c20-14-15-8-7-13-19(18(15)21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1,3-4,9-10,15,17H,2,5-8,11-13H2
InChIKey FFGUANRCTFBQIS-UHFFFAOYSA-N
Mol Weight 281.4 g/mol
Molecular Formula C19H23NO
Exact Mass 281.177964 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KAvcBSEeBJE
Name 3-Cyclohexyl-2-oxo-3-phenylcyclohexanecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.177964364 u
Formula C19H23NO
InChI InChI=1S/C19H23NO/c20-14-15-8-7-13-19(18(15)21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1,3-4,9-10,15,17H,2,5-8,11-13H2
InChIKey FFGUANRCTFBQIS-UHFFFAOYSA-N
SMILES C1C(C(C(CC1)(C1CCCCC1)C=1C=CC=CC1)=O)C#N
Spectrum/Structure Validation Score (Raman) 0.867001