| SpectraBase Spectrum ID |
9vdGAOrdGoi |
| Name |
9(Z),12(Z),15(Z)-Heneicosatrienoate |
| CAS Registry Number |
13487-43-9 |
| 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 |
334.287180462 u |
| Formula |
C22H38O2 |
| InChI |
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h7-8,10-11,13-14H,3-6,9,12,15-21H2,1-2H3/b8-7-,11-10-,14-13- |
| InChIKey |
DFSWFXPNIBXIRK-JPFHKJGASA-N |
| Molecular Weight |
334.544 g/mol |
| Number of Peaks |
178 |
| RI2 |
2192 |
| RI4 |
2372 |
| RI5 |
2047 |
| SMILES |
C(CCCCCCC\C=C/C\C=C/C\C=C/CCCCC)(=O)OC |
| SPLASH |
splash10-05qc-9300000000-6101d97119db5fe77235 |
| 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 |
9,12,15-Heneicosatrienoic acid, methyl ester, (Z,Z,Z)- (8CI)
Me. C21:3n6 |
| Wiley ID |
LM_LIPIDS2016_171 |
