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Hexadecanoic acid, 1,1,2-trimethyl-1,2-ethanediyl ester
SpectraBase Compound ID DnA3F99Z3MH
InChI InChI=1S/C37H72O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(38)40-34(3)37(4,5)41-36(39)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3
InChIKey LOUFUVCKRHCWFS-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 12ejZzVB1gY
Name Hexadecanoic acid, 1,1,2-trimethyl-1,2-ethanediyl ester
CAS Registry Number 56599-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H72O4
InChI InChI=1S/C37H72O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(38)40-34(3)37(4,5)41-36(39)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3
InChIKey LOUFUVCKRHCWFS-UHFFFAOYSA-N
Molecular Weight 580.979 g/mol
SMILES C(C(OC(CCCCCCCCCCCCCCC)=O)(C)C)(OC(CCCCCCCCCCCCCCC)=O)C
SPLASH splash10-052u-9120000000-07722deb5cf39180a4e8
Source of Spectrum EP-5365-0-0
Synonyms 1,1-Dimethyl-2-(palmitoyloxy)propyl palmitate (2-hexadecanoyloxy-1,2-dimethyl-propyl) hexadecanoate (3-hexadecanoyloxy-3-methyl-butan-2-yl) hexadecanoate palmitic acid (2-hexadecanoyloxy-1,2-dimethyl-propyl) ester Hexadecanoic acid [3-methyl-3-(1-oxohexadecoxy)butan-2-yl] ester
Wiley ID 1408533