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Hexadecanoic acid, 2-[(1-oxododecyl)oxy]-1,3-propanediyl ester
SpectraBase Compound ID EPcUbWNVAxD
InChI InChI=1S/C47H90O6/c1-4-7-10-13-16-19-21-23-25-28-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-27-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-24-22-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3
InChIKey CQLNDFSVEFGNAJ-UHFFFAOYSA-N
Mol Weight 751.2 g/mol
Molecular Formula C47H90O6
Exact Mass 750.673741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwZNkS4CQnc
Name Hexadecanoic acid, 2-[(1-oxododecyl)oxy]-1,3-propanediyl ester
CAS Registry Number 56599-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H90O6
InChI InChI=1S/C47H90O6/c1-4-7-10-13-16-19-21-23-25-28-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-27-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-24-22-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3
InChIKey CQLNDFSVEFGNAJ-UHFFFAOYSA-N
Molecular Weight 751.231 g/mol
SMILES C(COC(CCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O
SPLASH splash10-0a4u-9312100000-f7b00e1c3d837a4a69bd
Source of Spectrum EP-8556-0-0
Synonyms 2-(Dodecanoyloxy)-3-(palmitoyloxy)propyl palmitate (2-dodecanoyloxy-3-hexadecanoyloxy-propyl) hexadecanoate palmitic acid (3-hexadecanoyloxy-2-lauroyloxy-propyl) ester Hexadecanoic acid [2-(1-oxododecoxy)-3-(1-oxohexadecoxy)propyl] ester
Wiley ID 1416339