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picolinyl docosa-5c,11c,14-c,17c-tetraenoate

View entire compound with spectra: 1 MS (GC)

picolinyl docosa-5c,11c,14-c,17c-tetraenoate
SpectraBase Compound ID Cg5u2wperWb
InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h3-4,6-7,9-10,15-16,19-20,22-23H,2,5,8,11-14,17-18,21,24H2,1H3/b4-3+,7-6+,10-9+,16-15+
InChIKey PMPNNCOZJYLZRL-MLPCWCQHSA-N
Mol Weight 395.6 g/mol
Molecular Formula C26H37NO2
Exact Mass 395.282429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XA6rak60u
Name picolinyl docosa-5c,11c,14-c,17c-tetraenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37NO2
InChI InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h3-4,6-7,9-10,15-16,19-20,22-23H,2,5,8,11-14,17-18,21,24H2,1H3/b4-3+,7-6+,10-9+,16-15+
InChIKey PMPNNCOZJYLZRL-MLPCWCQHSA-N
Molecular Weight 395.587 g/mol
SMILES C(=O)(OCc1cnccc1)CCC\C=C\CCCC\C=C\C\C=C\C\C=C\CC
SPLASH splash10-02be-0589000000-d2522a300cbd116bc385
Source of Spectrum JC-543-260-4
Synonyms 3-Pyridinylmethyl (5E,11E,14E,17E)-5,11,14,17-icosatetraenoate Eicosa-5,11,14,17-tetraenoic acid, picolinyl ester
Wiley ID 1367156