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9,12-Octadecadienoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester, cis-
SpectraBase Compound ID LXn8s87DtXE
InChI InChI=1S/C28H42O4/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/h6-7,9-10,16-18,20-21,26,28H,2-5,8,11-15,19,22-24H2,1H3/b7-6+,10-9+
InChIKey VXQKNDCTNOZROC-AVQMFFATSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82ZvDXGSeXG
Name 9,12-Octadecadienoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester, cis-
Alternate Name(s) 9,12-Octadecadienoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester, trans- (2-Phenyl-1,3-dioxolan-4-yl)methyl (9E,12E)-9,12-octadecadienoate (2-phenyl-1,3-dioxolan-4-yl)methyl (9E,12E)-octadeca-9,12-dienoate (9E,12E)-octadeca-9,12-dienoic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester
CAS Registry Number 56599-48-5
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)30-23-26-24-31-28(32-26)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 VXQKNDCTNOZROC-AVQMFFATSA-N
Molecular Weight 442.640 g/mol
SMILES CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1COC(O1)c1ccccc1
SPLASH splash10-0a4l-9410000000-a5300e532b3715bc9ec9
Source of Spectrum EP-5330-0-0
Wiley ID 60210