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

*Links on SpectraBase are not permalinks.

Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester

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

Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester
SpectraBase Compound ID Hs9Sv59rILy
InChI InChI=1S/C36H70O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(37)39-33-36(3,4)40-35(38)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-33H2,1-4H3
InChIKey SDLZWDWJCAHJTI-UHFFFAOYSA-N
Mol Weight 567.0 g/mol
Molecular Formula C36H70O4
Exact Mass 566.527411 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 6LtpiaV0GvV
Name Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.527410730 u
Formula C36H70O4
InChI InChI=1S/C36H70O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(37)39-33-36(3,4)40-35(38)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-33H2,1-4H3
InChIKey SDLZWDWJCAHJTI-UHFFFAOYSA-N
Molecular Weight 566.952 g/mol
SMILES C(OC(CCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)(C)C