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Pentacosanoic acid, methyl ester
SpectraBase Compound ID BXHqpY2dhQ2
InChI InChI=1S/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3
InChIKey WOPKHAQDUMDJIY-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C26H52O2
Exact Mass 396.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SZHPS4cHbr
Name Pentacosanoate
CAS Registry Number 55373-89-2
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 396.396730912 u
Formula C26H52O2
InChI InChI=1S/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3
InChIKey WOPKHAQDUMDJIY-UHFFFAOYSA-N
Molecular Weight 396.700 g/mol
Number of Peaks 50
RI1 2817
RI2 2500
RI4 2830
RI5 2494
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCC)(=O)OC
SPLASH splash10-059f-9100000000-b61ab834cffabc71c2a5
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Pentacosanoic acid, methyl ester Me. C25:0
Wiley ID LM_LIPIDS2016_69