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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 ILDzTqlCZDd
Name Behenate
CAS Registry Number 929-77-1
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  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
Number of Peaks 50
RI1 2515
RI2 2200
RI4 2528
RI5 2200
SMILES C(CCCCCCCCCCCCCCCCCCCCC)(=O)OC
SPLASH splash10-05g3-9100000000-cee8f92f20c0458d807e
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Docosanoic acid, methyl ester Me. C22:0
Wiley ID LM_LIPIDS2016_44