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

*Links on SpectraBase are not permalinks.

(2,6,6-Trimethyl-3-oxo-cyclohex-1-en-1-yl)propanone

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

(2,6,6-Trimethyl-3-oxo-cyclohex-1-en-1-yl)propanone
SpectraBase Compound ID 7ZPXvVhOsWS
InChI InChI=1S/C12H18O2/c1-8(13)7-10-9(2)11(14)5-6-12(10,3)4/h5-7H2,1-4H3
InChIKey LZZBTXAQAXEQBS-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 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 77USfOX7PP9
Name (2,6,6-Trimethyl-3-oxo-cyclohex-1-en-1-yl)propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8(13)7-10-9(2)11(14)5-6-12(10,3)4/h5-7H2,1-4H3
InChIKey LZZBTXAQAXEQBS-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)C)CC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945835