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2-Hydroxy-1-(hydroxymethyl)ethyl (9E,12E,15E)-9,12,15-octadecatrienoate
SpectraBase Compound ID KJQ6HEAmiJ
InChI InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-
InChIKey ZCCLDKGWJIREQF-PDBXOOCHSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqDIN8ic8gk
Name 2-Hydroxy-1-(hydroxymethyl)ethyl (9E,12E,15E)-9,12,15-octadecatrienoate
CAS Registry Number 55268-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-
InChIKey ZCCLDKGWJIREQF-PDBXOOCHSA-N
Molecular Weight 352.515 g/mol
SMILES OCC(CO)OC(CCCCCCC\C=C/C\C=C/C\C=C/CC)=O
SPLASH splash10-0udi-0459000000-7e5d73d859a986353cdc
Source of Spectrum AA-0-2017-2
Synonyms 2-Monolinolenin (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 1,3-dihydroxypropan-2-yl ester 1,3-Dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [2-hydroxy-1-(hydroxymethyl)ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 1,3-bis(oxidanyl)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Wiley ID 1343506