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(2-phenyl-1,3-dioxolan-4-yl)methyl octadecanoate
SpectraBase Compound ID HsPgLnuSnDT
InChI InChI=1S/C28H46O4/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/h16-18,20-21,26,28H,2-15,19,22-24H2,1H3
InChIKey FGJHAWILWLBPSG-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AvlfKATEkz
Name (2-phenyl-1,3-dioxolan-4-yl)methyl octadecanoate
Alternate Name(s) Octadecanoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester, cis- (2-Phenyl-1,3-dioxolan-4-yl)methyl stearate Octadecanoic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester stearic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester
CAS Registry Number 56599-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/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/h16-18,20-21,26,28H,2-15,19,22-24H2,1H3
InChIKey FGJHAWILWLBPSG-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1(OC(COC(=O)CCCCCCCCCCCCCCCCC)CO1)c1ccccc1
SPLASH splash10-054o-9200000000-d242d0fa9f1dbd741782
Source of Spectrum EP-5314-0-0
Wiley ID 1386773