| SpectraBase Spectrum ID |
2EFcPgY8HbW |
| Name |
Erucate |
| CAS Registry Number |
1120-34-9 |
| 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 |
352.334130655 u |
| Formula |
C23H44O2 |
| InChI |
InChI=1S/C23H44O2/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/h10-11H,3-9,12-22H2,1-2H3/b11-10- |
| InChIKey |
ZYNDJIBBPLNPOW-KHPPLWFESA-N |
| Molecular Weight |
352.603 g/mol |
| Number of Peaks |
230 |
| RI2 |
2219 |
| RI4 |
2500 |
| RI5 |
2174 |
| SMILES |
C(CCCCCCCCCCC\C=C/CCCCCCCC)(=O)OC |
| SPLASH |
splash10-05nb-9310000000-d2b70f7919ee76fbf775 |
| 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-Docosenoic acid, methyl ester, (13Z)
Me. C22:1n9 |
| Wiley ID |
LM_LIPIDS2016_71 |
