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

*Links on SpectraBase are not permalinks.

3,7-Dimethyl-8-oxo-2,6-octadienyl acetate(e)

View entire compound with spectra: 1 NMR, and 1 FTIR

3,7-Dimethyl-8-oxo-2,6-octadienyl acetate(e)
SpectraBase Compound ID HpdpXipoMad
InChI InChI=1S/C12H18O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+
InChIKey YODDEHYDMMDDCV-NXAIOARDSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 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 4Y2HxuJYrbx
Name 3,7-Dimethyl-8-oxo-2,6-octadienyl acetate(E)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+
InChIKey YODDEHYDMMDDCV-NXAIOARDSA-N
Molecular Weight 210.273 g/mol
SMILES C(C)(=O)OC\C=C\(CC\C=C\(C=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973874