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3-Pyridinylmethyl (5E,11E,14E)-5,11,14-icosatrienoate

View entire compound with spectra: 1 MS (GC)

3-Pyridinylmethyl (5E,11E,14E)-5,11,14-icosatrienoate
SpectraBase Compound ID 2xHShBDHFAM
InChI InChI=1S/C26H39NO2/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/h6-7,9-10,15-16,19-20,22-23H,2-5,8,11-14,17-18,21,24H2,1H3/b7-6+,10-9+,16-15+
InChIKey YRQVXSAHFIWVNS-CDCWTTDFSA-N
Mol Weight 397.6 g/mol
Molecular Formula C26H39NO2
Exact Mass 397.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hMJjYMsdqv
Name 3-Pyridinylmethyl (5E,11E,14E)-5,11,14-icosatrienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39NO2
InChI InChI=1S/C26H39NO2/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/h6-7,9-10,15-16,19-20,22-23H,2-5,8,11-14,17-18,21,24H2,1H3/b7-6+,10-9+,16-15+
InChIKey YRQVXSAHFIWVNS-CDCWTTDFSA-N
Molecular Weight 397.603 g/mol
SMILES c1cc(COC(CCC\C=C\CCCC\C=C\C\C=C\CCCCC)=O)cnc1
SPLASH splash10-052f-9311000000-32b8e4498eccf291bcca
Source of Spectrum JC-543-260-2
Synonyms Eicosa-5,11,14-trienoic acid, picolinyl ester (5E,11E,14E)-eicosa-5,11,14-trienoic acid 3-pyridinylmethyl ester 3-Pyridylmethyl (5E,11E,14E)-icosa-5,11,14-trienoate Pyridin-3-ylmethyl (5E,11E,14E)-icosa-5,11,14-trienoate
Wiley ID 1368082