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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
Mol Weight 793.4 g/mol
Molecular Formula C51H100O5
Exact Mass 792.757076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6LUJPGd1UR
Name Hexadecanoic acid, 1-[(hexadecyloxy)methyl]-1,2-ethanediyl 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
Synonyms 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
Wiley ID 1417058