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Methyl 5,9,13-eicosatrienoate

View entire compound with spectra: 1 MS (GC)

Methyl 5,9,13-eicosatrienoate
SpectraBase Compound ID R0euT6Nylb
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/h8-9,12-13,16-17H,3-7,10-11,14-15,18-20H2,1-2H3/b9-8+,13-12+,17-16+
InChIKey LKWOPUJBZAULQX-BDZHJYROSA-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 w5HDwX9LE
Name Methyl 5,9,13-eicosatrienoate
Alternate Name(s) Methyl (5E,9E,13E)-5,9,13-icosatrienoate
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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/h8-9,12-13,16-17H,3-7,10-11,14-15,18-20H2,1-2H3/b9-8+,13-12+,17-16+
InChIKey LKWOPUJBZAULQX-BDZHJYROSA-N
Molecular Weight 320.517 g/mol
SMILES C(CCC\C=C\CC\C=C\CC\C=C\CCCCCC)(=O)OC
SPLASH splash10-00pl-9300000000-737a40f96d0e4107c3dc
Source of Spectrum X2-57-1694-0
Wiley ID 1605725