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

*Links on SpectraBase are not permalinks.

13-Formyl-2,6,11-trimethyl-2(E),4(E),6(E),10(E),12(E)-tridecapentaen-8-en-acid-ethylester

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

13-Formyl-2,6,11-trimethyl-2(E),4(E),6(E),10(E),12(E)-tridecapentaen-8-en-acid-ethylester
SpectraBase Compound ID FhW6blmlvW4
InChI InChI=1S/C19H22O3/c1-5-22-19(21)18(4)14-8-12-16(2)10-6-7-11-17(3)13-9-15-20/h8-15H,5H2,1-4H3/b12-8+,13-9+,16-10+,17-11+,18-14+
InChIKey PMVRWSIOKISOTJ-DFJNNYKFSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BreMUiabSse
Name 13-Formyl-2,6,11-trimethyl-2(E),4(E),6(E),10(E),12(E)-tridecapentaen-8-en-acid-ethylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.156894565 u
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-5-22-19(21)18(4)14-8-12-16(2)10-6-7-11-17(3)13-9-15-20/h8-15H,5H2,1-4H3/b12-8+,13-9+,16-10+,17-11+,18-14+
InChIKey PMVRWSIOKISOTJ-DFJNNYKFSA-N
SMILES C(=O)(OCC)\C(=C\C=C\C(=C\C#C\C=C/(C)\C=C\C=O)C)C