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9,12,15-Octadecatrienoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester
SpectraBase Compound ID 1yeNaLMj2dp
InChI InChI=1S/C28H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)30-23-26-24-31-28(32-26)25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21,26,28H,2,5,8,11-15,19,22-24H2,1H3/b4-3+,7-6+,10-9+
InChIKey BOYWFEHAUNZTHN-IUQGRGSQSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kltWk2JpVg
Name 9,12,15-Octadecatrienoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester
CAS Registry Number 56847-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)30-23-26-24-31-28(32-26)25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21,26,28H,2,5,8,11-15,19,22-24H2,1H3/b4-3+,7-6+,10-9+
InChIKey BOYWFEHAUNZTHN-IUQGRGSQSA-N
Molecular Weight 440.624 g/mol
SMILES C1(OC(COC(=O)CCCCCCC\C=C\C\C=C\C\C=C\CC)CO1)c1ccccc1
SPLASH splash10-052f-9400000000-eac17f1a389a6e76a561
Source of Spectrum EP-5333-0-0
Synonyms (2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E,15E)-9,12,15-octadecatrienoate trans-2-phenyl-1,3-dioxolane-4-methyl octadec-9,12,15-trienoate (2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E,15E)-octadeca-9,12,15-trienoate
Wiley ID 1384841