| SpectraBase Spectrum ID |
BpGTe4LXwgu |
| Name |
Linoleyl behenate |
| Source of Sample |
LARODAN Cat. #Linoleyl Behenate;www.larodan.com |
| 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 |
588.584531685 u |
| Formula |
C40H76O2 |
| InChI |
InChI=1S/C40H76O2/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/h12,14,18,20H,3-11,13,15-17,19,21-39H2,1-2H3/b14-12-,20-18- |
| InChIKey |
PZFBERMREGYNHL-MLWYYCKJSA-N |
| Molecular Weight |
589.046 g/mol |
| Number of Peaks |
410 |
| RI1 |
4130 |
| RI4 |
4155 |
| RI5 |
3507 |
| SMILES |
C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCC\C=C/C\C=C/CCCCC |
| SPLASH |
splash10-00l2-9510000000-0d045d743e498cef615b |
| 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, 9,12-octadecadienyl ester, (Z,Z)- |
| Wiley ID |
LM_LIPIDS2016_296 |
