SpectraBase Spectrum ID |
KwEtMPd56tr |
Name |
6(Z),9(Z),12(Z),15(Z)-Heneicosatertraenoate |
CAS Registry Number |
13487-41-7 |
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 |
332.271530397 u |
Formula |
C22H36O2 |
InChI |
InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16- |
InChIKey |
FYVTYELNLPIZCY-ZKWNWVNESA-N |
Molecular Weight |
332.528 g/mol |
Number of Peaks |
217 |
RI2 |
2223 |
RI4 |
2354 |
RI5 |
2029 |
SMILES |
C(CCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(=O)OC |
SPLASH |
splash10-05po-9400000000-4b3e4ebd73fe47f4b425 |
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 |
6,9,12,15-Heneicosatetraenoic acid, methyl ester, (all-Z)- (8CI)
Me. C21:4n6 |
Wiley ID |
LM_LIPIDS2016_169 |