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(2Z,5Z,8Z,11Z,14Z,17Z)-eicosa-2,5,8,11,14,17-hexaenoic acid methyl ester
SpectraBase Compound ID AcQiZ4gNxiu
InChI InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKey GFAYHUYDTGGWLN-JDPCYWKWSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jn0byu0mvm
Name (2Z,5Z,8Z,11Z,14Z,17Z)-eicosa-2,5,8,11,14,17-hexaenoic acid methyl ester
Alternate Name(s) methyl (2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKey GFAYHUYDTGGWLN-JDPCYWKWSA-N
Molecular Weight 314.469 g/mol
SMILES C(\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC
SPLASH splash10-004i-9000000000-24d0603320871f916498
Source of Spectrum KC-0-3075-24
Wiley ID 831529