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Eicosanoic acid, eicosyl ester
SpectraBase Compound ID DTOZMYLo7gv
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey VJFBRZCPEBSUHG-UHFFFAOYSA-N
Mol Weight 593.1 g/mol
Molecular Formula C40H80O2
Exact Mass 592.615832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 855LRCdKBxF
Name Arachidyl arachidate
Source of Sample LARODAN Cat. #45-2020-9;www.larodan.com
CAS Registry Number 22432-80-0
Classification Fatty esters; Wax monoesters
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 592.615831814 u
Formula C40H80O2
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey VJFBRZCPEBSUHG-UHFFFAOYSA-N
Molecular Weight 593.078 g/mol
Number of Peaks 440
RI1 4146
RI4 4167
RI5 3514
SMILES C(CCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0bt9-9201000000-fc33161a56e209e9fd87
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 Eicosanoic acid, eicosyl ester
Wiley ID LM_LIPIDS2016_253