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METHYL-EICOSA-ALL-cis-11,14,17-TRIENOATE
SpectraBase Compound ID 7BLEJQbe2jQ
InChI InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4+,8-7+,11-10+
InChIKey XQAVRBUXEPJVRC-JSIPCRQOSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAMYlzYA673
Name 11,14,17-Eicosatrienoic acid, methyl ester
Alternate Name(s) Methyl (11E,14E,17E)-11,14,17-icosatrienoate (11E,14E,17E)-eicosa-11,14,17-trienoic acid methyl ester Methyl (11E,14E,17E)-icosa-11,14,17-trienoate
CAS Registry Number 55682-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4+,8-7+,11-10+
InChIKey XQAVRBUXEPJVRC-JSIPCRQOSA-N
Molecular Weight 320.517 g/mol
SMILES CC\C=C\C\C=C\C\C=C\CCCCCCCCCC(=O)OC
SPLASH splash10-055f-9100000000-c81283972e8c2424d536
Source of Spectrum Va-0-0-0
Wiley ID 742013