For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

7,7-Dimethyl-6-phenyl-4,5-octadien-2-one

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

7,7-Dimethyl-6-phenyl-4,5-octadien-2-one
SpectraBase Compound ID 75TFFrZTqAw
InChI InChI=1S/C16H20O/c1-13(17)9-8-12-15(16(2,3)4)14-10-6-5-7-11-14/h5-8,10-11H,9H2,1-4H3
InChIKey DXTJWGQYFPVHSY-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EUxM5ACg6Rl
Name 7,7-Dimethyl-6-phenyl-4,5-octadien-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.151415263 u
Formula C16H20O
InChI InChI=1S/C16H20O/c1-13(17)9-8-12-15(16(2,3)4)14-10-6-5-7-11-14/h5-8,10-11H,9H2,1-4H3
InChIKey DXTJWGQYFPVHSY-UHFFFAOYSA-N
Molecular Weight 228.335 g/mol
SMILES C(=O)(CC(=[C@@]=C(C(C)(C)C)C1=CC=CC=C1)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961984