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

*Links on SpectraBase are not permalinks.

Methyl 5,9-heneicosadienoate

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

Methyl 5,9-heneicosadienoate
SpectraBase Compound ID An79PsT3uOq
InChI InChI=1S/C22H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h13-14,17-18H,3-12,15-16,19-21H2,1-2H3/b14-13+,18-17+
InChIKey HKQJNIDALRCNCW-WSPGMDLHSA-N
Mol Weight 336.6 g/mol
Molecular Formula C22H40O2
Exact Mass 336.302831 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 Gflcgldr5Ii
Name Methyl 5,9-heneicosadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.302830526 u
Formula C22H40O2
InChI InChI=1S/C22H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h13-14,17-18H,3-12,15-16,19-21H2,1-2H3/b14-13+,18-17+
InChIKey HKQJNIDALRCNCW-WSPGMDLHSA-N
Molecular Weight 336.560 g/mol
SMILES C(CCC\C=C\CC\C=C\CCCCCCCCCCC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940371