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Hexadecanoic acid, 1-methyl-1,3-propanediyl ester
SpectraBase Compound ID 8OyCaybVeEg
InChI InChI=1S/C36H70O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(37)39-33-32-34(3)40-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
InChIKey XUURJMJXATZVHU-UHFFFAOYSA-N
Mol Weight 567.0 g/mol
Molecular Formula C36H70O4
Exact Mass 566.527411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48Ocw5AgL3a
Name Hexadecanoic acid, 1-methyl-1,3-propanediyl ester
Alternate Name(s) 1-Methyl-3-(palmitoyloxy)propyl palmitate 1,3-Butanediol dipalmitate 3-Hexadecanoyloxybutyl hexadecanoate Hexadecanoic acid 3-(1-oxohexadecoxy)butyl ester palmitic acid 3-hexadecanoyloxybutyl ester Palmitic acid, 1-methyltrimethylene ester
CAS Registry Number 33599-10-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H70O4
InChI InChI=1S/C36H70O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(37)39-33-32-34(3)40-36(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3
InChIKey XUURJMJXATZVHU-UHFFFAOYSA-N
Molecular Weight 566.952 g/mol
SMILES CCCCCCCCCCCCCCCC(OC(C)CCOC(=O)CCCCCCCCCCCCCCC)=O
SPLASH splash10-03di-9424000000-4478b9aa6da0d8ca4080
Source of Spectrum EP-5094-0-0
Wiley ID 1407382