Hexadecanoic acid, 1-[(hexadecyloxy)methyl]-1,2-ethanediyl ester

SpectraBase Compound ID	BbDvaWv7ytv
InChI	InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
InChIKey	PPDBIVVWNXSKCW-UHFFFAOYSA-N Google Search
Mol Weight	793.4 g/mol
Molecular Formula	C51H100O5
Exact Mass	792.757076 g/mol

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SpectraBase Spectrum ID	K6LUJPGd1UR
Name	Hexadecanoic acid, 1-[(hexadecyloxy)methyl]-1,2-ethanediyl ester
Alternate Name(s)	2-(Hexadecyloxy)-1-[(palmitoyloxy)methyl]ethyl palmitate (2-hexadecanoyloxy-3-hexadecoxy-propyl) hexadecanoate palmitic acid (3-cetyloxy-2-hexadecanoyloxy-propyl) ester Palmitic acid, [(hexadecyloxy)methyl]ethylene ester Hexadecanoic acid [3-hexadecoxy-2-(1-oxohexadecoxy)propyl] ester
CAS Registry Number	1116-45-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C51H100O5
InChI	InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
InChIKey	PPDBIVVWNXSKCW-UHFFFAOYSA-N
Molecular Weight	793.356 g/mol
SMILES	C(OCC(OC(=O)CCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCC)=O
SPLASH	splash10-052r-9241010000-54877f17b8195757805a
Source of Spectrum	EP-5223-0-0
Wiley ID	1417058