| SpectraBase Spectrum ID |
2mVcxX2d5xQ |
| Name |
Linolenic acid |
| CAS Registry Number |
463-40-1 |
| Classification |
Fatty acid |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.224580204 u |
| Formula |
C18H30O2 |
| InChI |
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- |
| InChIKey |
DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
278.436 g/mol |
| Nominal Mass |
278 u |
| Quality |
944 |
| Retention Index |
1955 |
| SMILES |
OC(CCCCCCC\C=C/C\C=C/C\C=C/CC)=O |
| SPLASH |
splash10-05po-9200000000-1ad2461e222df47a4b9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(9Z,12Z,15Z)Octadeca-9,12,15-trienoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032047 |
