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Cyclohexanone, 3,3,5-trimethyl-5-phenyl-

View entire compound with spectra: 16 NMR, 1 FTIR, and 2 MS (GC)

Cyclohexanone, 3,3,5-trimethyl-5-phenyl-
SpectraBase Compound ID 7OGYkDfSUM2
InChI InChI=1S/C15H20O/c1-14(2)9-13(16)10-15(3,11-14)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey PLUCSGDVUMWKHB-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 J4nZj5oHRYV
Name Cyclohexanone, 3,3,5-trimethyl-5-phenyl-
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/c1-14(2)9-13(16)10-15(3,11-14)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey PLUCSGDVUMWKHB-UHFFFAOYSA-N
Molecular Weight 216.324 g/mol
SMILES CC1(CC(C)(CC(C1)=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95438