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

*Links on SpectraBase are not permalinks.

docasanoic acid, methyl ester

View entire compound with spectra: 7 NMR, 6 FTIR, and 31 MS (GC)

docasanoic acid, methyl ester
SpectraBase Compound ID JvdPJ7WGyit
InChI InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey QSQLTHHMFHEFIY-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C23H46O2
Exact Mass 354.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 41BOuhdcwIh
Name Docosanoic acid methyl ester
Alternate Name(s) Methyl behenate Methyl docosanoate Docosanoic acid, methyl ester Behenic acid methyl ester BEHENIC ACID, METHYL ESTER Docosanoic acid methyl ester Methyl docosanoate
Comments CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001028
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H46O2
InChI InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey QSQLTHHMFHEFIY-UHFFFAOYSA-N
Molecular Weight 354.619 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC
SPLASH splash10-000i-9400000000-07ab7be5b10bd6069395
Source of Spectrum FM-2019-1028-0
Wiley ID 1818687