SpectraBase Spectrum ID |
JGh3XqSvHxw |
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 |
985 |
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-9400000000-b133db936a61bbcef310 |
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_033453 |