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(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 5-(1,3-dioxolan-2-yl)pentan-2-yl ester
SpectraBase Compound ID 7TaOrRZnKSa
InChI InChI=1S/C26H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)30-24(2)19-18-21-26-28-22-23-29-26/h4-5,7-8,10-11,24,26H,3,6,9,12-23H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey SSWQBJRIMPBVST-YSTUJMKBSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H44O4
Exact Mass 420.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W3xE1P9Qo6
Name (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 5-(1,3-dioxolan-2-yl)pentan-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O4
InChI InChI=1S/C26H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)30-24(2)19-18-21-26-28-22-23-29-26/h4-5,7-8,10-11,24,26H,3,6,9,12-23H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey SSWQBJRIMPBVST-YSTUJMKBSA-N
Molecular Weight 420.634 g/mol
SMILES C(=O)(OC(CCCC1OCCO1)C)CCCCCCC\C=C/C\C=C/C\C=C/CC
SPLASH splash10-0596-0921200000-cd4ad2430ff13f9c5ca0
Source of Spectrum F-68-8748-19
Synonyms 5-(1,3-dioxolan-2-yl)pentan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [4-(1,3-dioxolan-2-yl)-1-methyl-butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Wiley ID 1573667