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methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SpectraBase Compound ID Gzp4tNGs2sF
InChI InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKey QWDCYFDDFPWISL-JEBPEJKESA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFdI8v2hBIY
Name (all-Z)-5,8,11,14,17- eicosapentaenoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKey QWDCYFDDFPWISL-JEBPEJKESA-N
Instrument Name Hewlett Packard 6890 Series GC-5973 MSD
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.20
Molecular Weight 316.485 g/mol
SMILES COC(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)=O
SPLASH splash10-05ox-9600000000-62f38ecae7b409bcab8c
Source of Spectrum BJO-12-SM14-Figure S16 (up)
Wiley ID 1865141