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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)

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SpectraBase Spectrum ID 41BOuhdcwIh
Name Docosanoic acid methyl ester
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
Synonyms Methyl behenate Methyl docosanoate Docosanoic acid, methyl ester Behenic acid methyl ester BEHENIC ACID, METHYL ESTER Docosanoic acid methyl ester Methyl docosanoate
Wiley ID 1818687