For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9,12-Octadecadienoic acid, 2-phenyl-1,3-dioxan-5-yl ester
SpectraBase Compound ID JBzDsNtSigq
InChI InChI=1S/C28H42O4/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/h6-7,9-10,16-18,20-21,26,28H,2-5,8,11-15,19,22-24H2,1H3/b7-6+,10-9+
InChIKey LMXAGBGXXBFGTC-AVQMFFATSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FbWtGqmgxhW
Name 9,12-Octadecadienoic acid, 2-phenyl-1,3-dioxan-5-yl ester
CAS Registry Number 56687-50-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/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/h6-7,9-10,16-18,20-21,26,28H,2-5,8,11-15,19,22-24H2,1H3/b7-6+,10-9+
InChIKey LMXAGBGXXBFGTC-AVQMFFATSA-N
Molecular Weight 442.640 g/mol
SMILES CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC1COC(OC1)c1ccccc1
SPLASH splash10-0a4i-9401000000-5c45b1302b8957edb5b1
Source of Spectrum EP-5331-0-0
Synonyms 9,12-Octadecadienoic acid, 2-phenyl-1,3-dioxan-5-yl ester, cis- (2-phenyl-1,3-dioxan-5-yl) (9E,12E)-octadeca-9,12-dienoate (9E,12E)-octadeca-9,12-dienoic acid (2-phenyl-1,3-dioxan-5-yl) ester
Wiley ID 1385477