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

*Links on SpectraBase are not permalinks.

2,2,6-Trimethyl-5-phenyl-6-hepten-3-one

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

2,2,6-Trimethyl-5-phenyl-6-hepten-3-one
SpectraBase Compound ID K4j4lUUsWVJ
InChI InChI=1S/C16H22O/c1-12(2)14(11-15(17)16(3,4)5)13-9-7-6-8-10-13/h6-10,14H,1,11H2,2-5H3
InChIKey QFJBYXBDGSYHDA-UHFFFAOYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BipFQJaHR1N
Name 2,2,6-Trimethyl-5-phenyl-6-hepten-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.167065327 u
Formula C16H22O
InChI InChI=1S/C16H22O/c1-12(2)14(11-15(17)16(3,4)5)13-9-7-6-8-10-13/h6-10,14H,1,11H2,2-5H3
InChIKey QFJBYXBDGSYHDA-UHFFFAOYSA-N
Molecular Weight 230.351 g/mol
SMILES C(C(C(=C)C)C1=CC=CC=C1)C(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947601