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

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, 3-ethylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 3-ethylphenyl tridecyl ester
SpectraBase Compound ID 7BqBkf5b3v2
InChI InChI=1S/C26H42O4/c1-5-7-8-9-10-11-12-13-14-15-16-20-29-24(27)26(3,4)25(28)30-23-19-17-18-22(6-2)21-23/h17-19,21H,5-16,20H2,1-4H3
InChIKey FFJHTPGRHYDAIJ-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 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 4Yq30lqaIRP
Name Dimethylmalonic acid, 3-ethylphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-5-7-8-9-10-11-12-13-14-15-16-20-29-24(27)26(3,4)25(28)30-23-19-17-18-22(6-2)21-23/h17-19,21H,5-16,20H2,1-4H3
InChIKey FFJHTPGRHYDAIJ-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCCCC)=O)(C)C)=O