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

*Links on SpectraBase are not permalinks.

Malonic acid, 2,4-dimethylpent-3-yl hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Malonic acid, 2,4-dimethylpent-3-yl hexadecyl ester
SpectraBase Compound ID Kk4ZFGCqzU
InChI InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24(27)21-25(28)30-26(22(2)3)23(4)5/h22-23,26H,6-21H2,1-5H3
InChIKey HSPWZRONUVAKEI-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 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 DtWaawt7X16
Name Malonic acid, 2,4-dimethylpent-3-yl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.370910086 u
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24(27)21-25(28)30-26(22(2)3)23(4)5/h22-23,26H,6-21H2,1-5H3
InChIKey HSPWZRONUVAKEI-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(C(OC(C(C)C)C(C)C)=O)C(OCCCCCCCCCCCCCCCC)=O