| SpectraBase Spectrum ID |
JxkjMmtJ3Oo |
| Name |
Octadec-(12E)-enoate |
| CAS Registry Number |
20221-23-2 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| 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 |
296.271530397 u |
| Formula |
C19H36O2 |
| InChI |
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3/b8-7+ |
| InChIKey |
LMWAESDDOGRMOK-BQYQJAHWSA-N |
| Molecular Weight |
296.495 g/mol |
| Number of Peaks |
215 |
| RI2 |
1803 |
| RI4 |
2110 |
| SMILES |
C(CCCCCCCCCC\C=C\CCCCC)(=O)OC |
| SPLASH |
splash10-05nb-9310000000-2359b79fed5411df0d30 |
| 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 |
12-Octadecenoic acid, methyl ester, (12E)
Me. C18:1n6 |
| Wiley ID |
LM_LIPIDS2016_84 |
