| SpectraBase Spectrum ID |
DmNXfGzhJIW |
| Name |
(all-Z)-4,7,10,13,16,19-Docosahexaenoic acid methyl ester |
| CAS Registry Number |
2566-90-7 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
342.255880333 u |
| Formula |
C23H34O2 |
| InChI |
InChI=1S/C23H34O2/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/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19- |
| InChIKey |
VCDLWFYODNTQOT-JDPCYWKWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
342.523 g/mol |
| Nominal Mass |
342 u |
| Quality |
962 |
| Retention Index |
2419 |
| SMILES |
C(CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(OC)=O |
| SPLASH |
splash10-002f-9600000000-df13e15ac5285cf6f866 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006972 |
