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Octadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester
SpectraBase Compound ID 48vubTjt59o
InChI InChI=1S/C28H46O4/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/h16-18,20-21,26,28H,2-15,19,22-24H2,1H3
InChIKey YWQNNPRTGZIYIP-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 3NMHrdEBtnQ
Name Octadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester
Alternate Name(s) 2-Phenyl-1,3-dioxan-5-yl stearate Stearic acid, 2-phenyl-m-dioxan-5-yl ester, cis- (2-phenyl-1,3-dioxan-5-yl) octadecanoate Stearic acid, 2-phenyl-m-dioxan-5-yl ester, trans- Octadecanoic acid (2-phenyl-1,3-dioxan-5-yl) ester stearic acid (2-phenyl-1,3-dioxan-5-yl) ester
CAS Registry Number 56554-39-3
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)32-26-23-30-28(31-24-26)25-20-17-16-18-21-25/h16-18,20-21,26,28H,2-15,19,22-24H2,1H3
InChIKey YWQNNPRTGZIYIP-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCCCCCCCCCCCCCCCCC(=O)OC1COC(c2ccccc2)OC1
SPLASH splash10-0a4l-9610000000-a618fb728992b315be84
Source of Spectrum EP-4781-0-0
Wiley ID 60494