| SpectraBase Spectrum ID |
45xSvS0WV98 |
| Name |
12(Z),15(Z),18(Z)-Heneicosatrienoate |
| CAS Registry Number |
122768-04-1 |
| 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 |
334.287180462 u |
| Formula |
C22H38O2 |
| InChI |
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h4-5,7-8,10-11H,3,6,9,12-21H2,1-2H3/b5-4-,8-7-,11-10- |
| InChIKey |
ZTNUBEFSFKRQJD-YSTUJMKBSA-N |
| Molecular Weight |
334.544 g/mol |
| Number of Peaks |
212 |
| RI2 |
2233 |
| RI4 |
2400 |
| RI5 |
2076 |
| SMILES |
C(CCCCCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC |
| SPLASH |
splash10-0a7l-9300000000-cb27ef074029f930cbe5 |
| 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 |
12,15,18-Heneicosatrienoic acid, methyl ester, (Z,Z,Z)- (9CI)
Me. C21:3n3 |
| Wiley ID |
LM_LIPIDS2016_163 |
