| SpectraBase Spectrum ID |
L8dH7fe07Oq |
| Name |
(13Z,16Z,19Z)-docosatrienoate |
| CAS Registry Number |
108698-01-7 |
| 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 |
348.302830526 u |
| Formula |
C23H40O2 |
| InChI |
InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10- |
| InChIKey |
RXNIYBHTXVTSAK-YSTUJMKBSA-N |
| Molecular Weight |
348.571 g/mol |
| Number of Peaks |
282 |
| RI2 |
2347 |
| RI4 |
2504 |
| RI5 |
2175 |
| SMILES |
C(CCCCCCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC |
| SPLASH |
splash10-05pp-9300000000-34ea4c56d1588a534a2a |
| 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 |
13,16,19-Docosatrienoic acid, methyl ester, (13Z,16Z,19Z)-
Me. C22:3n4 |
| Wiley ID |
LM_LIPIDS2016_198 |
