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Hexadecanoic acid, 1,3-propanediyl ester
SpectraBase Compound ID LiGRTbG78u9
InChI InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34(36)38-32-29-33-39-35(37)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKey FBFGIPIHQQUDQF-UHFFFAOYSA-N
Mol Weight 552.9 g/mol
Molecular Formula C35H68O4
Exact Mass 552.511761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOmCNme4G8M
Name Hexadecanoic acid, 1,3-propanediyl ester
Alternate Name(s) 3-(Palmitoyloxy)propyl palmitate 1,3-Propanediol dipalmitate 3-Hexadecanoyloxypropyl hexadecanoate Hexadecanoic acid 3-(1-oxohexadecoxy)propyl ester palmitic acid 3-hexadecanoyloxypropyl ester Palmitic acid, trimethylene ester
CAS Registry Number 818-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H68O4
InChI InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34(36)38-32-29-33-39-35(37)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKey FBFGIPIHQQUDQF-UHFFFAOYSA-N
Molecular Weight 552.925 g/mol
SMILES C(OCCCOC(CCCCCCCCCCCCCCC)=O)(CCCCCCCCCCCCCCC)=O
SPLASH splash10-0002-9471000000-c7746240c5278c1eb627
Source of Spectrum EP-5217-0-0
Wiley ID 1406013