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

*Links on SpectraBase are not permalinks.

2,6,10,14,19-Eicosapentaenoic acid, 2,6,11,15,19-pentamethyl-, ethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2,6,10,14,19-Eicosapentaenoic acid, 2,6,11,15,19-pentamethyl-, ethyl ester
SpectraBase Compound ID DfdRcTsZa63
InChI InChI=1S/C27H44O2/c1-8-29-27(28)26(7)21-13-20-24(5)16-10-9-15-23(4)18-12-19-25(6)17-11-14-22(2)3/h14-16,19,21H,8-13,17-18,20H2,1-7H3/b23-15+,24-16+,25-19+,26-21+
InChIKey AHWACJRODAVZSB-VMXLILKYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 53rrXavMIF2
Name 2,6,10,14,19-Eicosapentaenoic acid, 2,6,11,15,19-pentamethyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.334130655 u
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-8-29-27(28)26(7)21-13-20-24(5)16-10-9-15-23(4)18-12-19-25(6)17-11-14-22(2)3/h14-16,19,21H,8-13,17-18,20H2,1-7H3/b23-15+,24-16+,25-19+,26-21+
InChIKey AHWACJRODAVZSB-VMXLILKYSA-N
Molecular Weight 400.647 g/mol
SMILES CC(=CCC\C(C)=C\CC\C(C)=C\CC\C=C/(C)CC\C=C/(C)C(OCC)=O)C