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Octadecanoic acid, docosyl ester
SpectraBase Compound ID 2HgNoe7XcPD
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey SRKUMCYSWLWLLS-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 Bp1schkxy3K
Name Behenyl stearate
Source of Sample LARODAN Cat. #45-1822-9;www.larodan.com
CAS Registry Number 22413-03-2
Classification Fatty esters; Wax monoesters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H80O2
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey SRKUMCYSWLWLLS-UHFFFAOYSA-N
Number of Peaks 453
RI1 4147
RI4 4168
RI5 3515
SMILES C(CCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-052r-9320000000-b8d09b30e6923c380585
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Octadecanoic acid, docosyl ester
Wiley ID LM_LIPIDS2016_278