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3-Cyclohexyl-1-phenylpropan-1-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

3-Cyclohexyl-1-phenylpropan-1-one
SpectraBase Compound ID 5fhKNbAfqEv
InChI InChI=1S/C15H20O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKey MMENWNOFWAKGGP-UHFFFAOYSA-N
Mol Weight 216.32 g/mol
Molecular Formula C15H20O
Exact Mass 216.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5THyNopxWxt
Name 3-Cyclohexyl-1-phenylpropan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.151415263 u
Formula C15H20O
InChI InChI=1S/C15H20O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKey MMENWNOFWAKGGP-UHFFFAOYSA-N
Molecular Weight 216.324 g/mol
SMILES C(CCC1CCCCC1)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879104