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Stearyl behenate
SpectraBase Compound ID IQ6jwhqhvyC
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey GAQPWOABOQGPKA-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 Bqtn0XSWbba
Name Stearyl behenate
Source of Sample LARODAN Cat. #45-2218-9;www.larodan.com
CAS Registry Number 24271-12-3
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/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey GAQPWOABOQGPKA-UHFFFAOYSA-N
Molecular Weight 593.078 g/mol
Number of Peaks 407
RI1 4147
RI4 4166
RI5 3514
SMILES C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCC
SPLASH splash10-0a4l-9200000000-c1b99a7f2b54cee9341c
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 Docosanoic acid, octadecyl ester
Wiley ID LM_LIPIDS2016_247