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

*Links on SpectraBase are not permalinks.

3-Hexanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

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

3-Hexanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
SpectraBase Compound ID PtX5vmIXKt
InChI InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h8,14H,5-7,9-11H2,1-4H3
InChIKey FWMYBLJEKIBWBB-UHFFFAOYSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 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 d3TCwGXTm
Name 3-Hexanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h8,14H,5-7,9-11H2,1-4H3
InChIKey FWMYBLJEKIBWBB-UHFFFAOYSA-N
Molecular Weight 222.372 g/mol
SMILES C1(C(=CCCC1(C)C)C)CCC(=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956947