For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Hexadecanoic acid, 2-oxo-1,3-propanediyl ester

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

Hexadecanoic acid, 2-oxo-1,3-propanediyl ester
SpectraBase Compound ID GsXaj4F0im5
InChI InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey SXRDQGZRUXYOJW-UHFFFAOYSA-N
Mol Weight 566.9 g/mol
Molecular Formula C35H66O5
Exact Mass 566.491025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C9iCIIVv9Zg
Name Hexadecanoic acid, 2-oxo-1,3-propanediyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.491025220 u
Formula C35H66O5
InChI InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey SXRDQGZRUXYOJW-UHFFFAOYSA-N
Molecular Weight 566.908 g/mol
SMILES CCCCCCCCCCCCCCCC(=O)OCC(=O)COC(=O)CCCCCCCCCCCCCCC