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Behenyl arachidate
SpectraBase Compound ID 6Bc2U67W2j5
InChI InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChIKey XRBFFXWJPXHRME-UHFFFAOYSA-N
Mol Weight 621.1 g/mol
Molecular Formula C42H84O2
Exact Mass 620.647132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ErxVbOh19m
Name Behenyl arachidate
Source of Sample LARODAN Cat. #45-2022-9;www.larodan.com
CAS Registry Number 42232-87-1
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 620.647131943 u
Formula C42H84O2
InChI InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChIKey XRBFFXWJPXHRME-UHFFFAOYSA-N
Molecular Weight 621.132 g/mol
Number of Peaks 447
RI1 4342
RI4 4358
RI5 3643
SMILES C(CCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0bt9-9301000000-852b933f0e7a20ae8eec
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, docosyl ester
Wiley ID LM_LIPIDS2016_254