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Hexadecanoic acid, 2-[(1-oxotetradecyl)oxy]-1,3-propanediyl ester
SpectraBase Compound ID 958dnyX7PmC
InChI InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
InChIKey NSQZMMPMMBEIIA-UHFFFAOYSA-N
Mol Weight 779.3 g/mol
Molecular Formula C49H94O6
Exact Mass 778.705041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9X4QSPYSEWH
Name Hexadecanoic acid, 2-[(1-oxotetradecyl)oxy]-1,3-propanediyl ester
Alternate Name(s) 3-(Palmitoyloxy)-2-(tetradecanoyloxy)propyl palmitate (3-hexadecanoyloxy-2-tetradecanoyloxy-propyl) hexadecanoate palmitic acid (3-hexadecanoyloxy-2-tetradecanoyloxy-propyl) ester Hexadecanoic acid [3-(1-oxohexadecoxy)-2-(1-oxotetradecoxy)propyl] ester
CAS Registry Number 56599-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H94O6
InChI InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
InChIKey NSQZMMPMMBEIIA-UHFFFAOYSA-N
Molecular Weight 779.285 g/mol
SMILES C(OC(CCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
SPLASH splash10-0abl-9222010000-40bbb56d254fcab821bf
Source of Spectrum EP-5346-0-0
Wiley ID 1416867