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

*Links on SpectraBase are not permalinks.

2,7,11-Trimethyl-12-oxo-2,4,6,8,10-tridecapentaen-1-al

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

2,7,11-Trimethyl-12-oxo-2,4,6,8,10-tridecapentaen-1-al
SpectraBase Compound ID 4GJF1bPYio4
InChI InChI=1S/C16H20O2/c1-13(8-5-6-9-14(2)12-17)10-7-11-15(3)16(4)18/h5-12H,1-4H3/b6-5+,10-7+,13-8+,14-9-,15-11+
InChIKey HWGLQFFTAYVEDE-IGGWXOPXSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 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 5CmPLVMNWJn
Name 2,7,11-Trimethyl-12-oxo-2,4,6,8,10-tridecapentaen-1-al
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.146329882 u
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-13(8-5-6-9-14(2)12-17)10-7-11-15(3)16(4)18/h5-12H,1-4H3/b6-5+,10-7+,13-8+,14-9-,15-11+
InChIKey HWGLQFFTAYVEDE-IGGWXOPXSA-N
Molecular Weight 244.334 g/mol
SMILES C(\C(=C\C=C\C(=C\C=C\C=C/(C=O)C)C)C)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948125