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Hexadecanoic acid, 1-(1-methylethyl)-1,2-ethanediyl ester
SpectraBase Compound ID KIiGlL6kPvQ
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)40-33-35(34(3)4)41-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKey CNNMPDNLCOCSDC-UHFFFAOYSA-N
Mol Weight 581.0 g/mol
Molecular Formula C37H72O4
Exact Mass 580.543061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaxKzQhb4b
Name Hexadecanoic acid, 1-(1-methylethyl)-1,2-ethanediyl ester
Alternate Name(s) 3-Methyl-2-(palmitoyloxy)butyl palmitate (2-hexadecanoyloxy-3-methyl-butyl) hexadecanoate palmitic acid (2-hexadecanoyloxy-3-methyl-butyl) ester Hexadecanoic acid [3-methyl-2-(1-oxohexadecoxy)butyl] ester
CAS Registry Number 56599-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H72O4
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)40-33-35(34(3)4)41-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3
InChIKey CNNMPDNLCOCSDC-UHFFFAOYSA-N
Molecular Weight 580.979 g/mol
SMILES C(OC(CCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)C(C)C
SPLASH splash10-05ox-9110000000-cc59cbb554283ce58fa8
Source of Spectrum EP-5352-0-0
Wiley ID 1408531