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

*Links on SpectraBase are not permalinks.

(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate

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

(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate
SpectraBase Compound ID 3RgxcoqbdcB
InChI InChI=1S/C18H30O2/c1-6-18(19)20-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKey XFACLYNWBJYMCK-IUBLYSDUSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 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 L29yST6nF1y
Name (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.224580204 u
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-6-18(19)20-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKey XFACLYNWBJYMCK-IUBLYSDUSA-N
SMILES C(\C=C\(CC\C=C\(CCC=C(C)C)C)C)OC(CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950805