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Stearylstearate
SpectraBase Compound ID ARkW11gCn3A
InChI InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey NKBWPOSQERPBFI-UHFFFAOYSA-N
Mol Weight 537.0 g/mol
Molecular Formula C36H72O2
Exact Mass 536.553232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85uDl12iBYR
Name Stearyl stearate
Source of Sample LARODAN Cat. #45-1818-9;www.larodan.com
CAS Registry Number 2778-96-3
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 536.553231556 u
Formula C36H72O2
InChI InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey NKBWPOSQERPBFI-UHFFFAOYSA-N
Molecular Weight 536.970 g/mol
Number of Peaks 385
RI1 3752
RI4 3770
RI5 3245
SMILES C(CCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCC
SPLASH splash10-0a4r-9320000000-699d6b49e75a2bb5a311
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 Octadecanoic acid, octadecyl ester
Wiley ID LM_LIPIDS2016_276