| SpectraBase Spectrum ID |
5XO71IekQ8O |
| Name |
5,8,11,14,17-Eicosapentaenoic acid,methyl ester,(all-Z) |
| CAS Registry Number |
2734-47-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16- |
| InChIKey |
QWDCYFDDFPWISL-JEBPEJKESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Quality |
932 |
| Retention Index |
2231 |
| SMILES |
C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(OC)=O |
| SPLASH |
splash10-00mo-9700000000-bb944cac4487e6492c8d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl-(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032782 |
