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Hexadecanoic acid, 2-[(1-oxohexyl)oxy]-1,3-propanediyl ester
SpectraBase Compound ID CMKc6lzDeJt
InChI InChI=1S/C41H78O6/c1-4-7-10-12-14-16-18-20-22-24-26-28-31-33-39(42)45-36-38(47-41(44)35-30-9-6-3)37-46-40(43)34-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h38H,4-37H2,1-3H3
InChIKey SUAPYPRAYALOTD-UHFFFAOYSA-N
Mol Weight 667.1 g/mol
Molecular Formula C41H78O6
Exact Mass 666.57984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KR3SPSSmWEP
Name Hexadecanoic acid, 2-[(1-oxohexyl)oxy]-1,3-propanediyl ester
CAS Registry Number 56588-23-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H78O6
InChI InChI=1S/C41H78O6/c1-4-7-10-12-14-16-18-20-22-24-26-28-31-33-39(42)45-36-38(47-41(44)35-30-9-6-3)37-46-40(43)34-32-29-27-25-23-21-19-17-15-13-11-8-5-2/h38H,4-37H2,1-3H3
InChIKey SUAPYPRAYALOTD-UHFFFAOYSA-N
Molecular Weight 667.069 g/mol
SMILES C(OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(=O)CCCCC
SPLASH splash10-0a4i-9111210000-3e75a3b8d0b3424e86b5
Source of Spectrum SD-1981-0-0
Synonyms 2-(hexanoyloxy)-3-(palmitoyloxy)propyl palmitate
Wiley ID 1413792