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Eicosanoic acid, 2,3-bis(acetyloxy)propyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Eicosanoic acid, 2,3-bis(acetyloxy)propyl ester
SpectraBase Compound ID 5Abpgb3NE61
InChI InChI=1S/C27H50O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)32-23-26(33-25(3)29)22-31-24(2)28/h26H,4-23H2,1-3H3
InChIKey LXMJDNTZSSFUNW-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H50O6
Exact Mass 470.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDzJcc6OlSy
Name Eicosanoic acid, 2,3-bis(acetyloxy)propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.360739324 u
Formula C27H50O6
InChI InChI=1S/C27H50O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)32-23-26(33-25(3)29)22-31-24(2)28/h26H,4-23H2,1-3H3
InChIKey LXMJDNTZSSFUNW-UHFFFAOYSA-N
Molecular Weight 470.691 g/mol
SMILES C(C(COC(C)=O)OC(C)=O)OC(CCCCCCCCCCCCCCCCCCC)=O