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5(Z),8(E),11(Z),14(Z)-Eicosatetraenoate <methyl->
SpectraBase Compound ID GqGo2NowiaK
InChI InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16+
InChIKey OFIDNKMQBYGNIW-XFMTUHODSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79iKWqgSIOb
Name 5(Z),8(E),11(Z),14(Z)-Eicosatetraenoate
CAS Registry Number 62319-56-6
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16+
InChIKey OFIDNKMQBYGNIW-XFMTUHODSA-N
Number of Peaks 227
RI2 2146
RI4 2274
RI5 1947
SMILES C(CCC\C=C\C\C=C/C\C=C/C\C=C/CCCCC)(=O)OC
SPLASH splash10-05po-9500000000-35ebd2729e37cc56ead6
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 5,8,11,14-Eicosatetraenoic acid, methyl ester, (5E,8Z,11Z,14Z)- Me. C20:4n6
Wiley ID LM_LIPIDS2016_220