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9,12,15-Octadecatrienoic acid, 2-phenyl-1,3-dioxan-5-yl ester
SpectraBase Compound ID F0lqIjVajst
InChI InChI=1S/C28H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)32-26-23-30-28(31-24-26)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 IRBHZQLYNSNFLQ-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 J4EcDa0y3Uo
Name 9,12,15-Octadecatrienoic acid, 2-phenyl-1,3-dioxan-5-yl ester
Alternate Name(s) (2-phenyl-1,3-dioxan-5-yl) (9E,12E,15E)-octadeca-9,12,15-trienoate (9E,12E,15E)-octadeca-9,12,15-trienoic acid (2-phenyl-1,3-dioxan-5-yl) ester
CAS Registry Number 56700-76-6
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)32-26-23-30-28(31-24-26)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 IRBHZQLYNSNFLQ-IUQGRGSQSA-N
Molecular Weight 440.624 g/mol
SMILES CC\C=C\C\C=C\C\C=C\CCCCCCCC(=O)OC1COC(OC1)c1ccccc1
SPLASH splash10-0a6u-9410000000-ccb84a87056335e14e1a
Source of Spectrum EP-5334-0-0
Wiley ID 1384838