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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2,6-dichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dichlorophenyl tridecyl ester
SpectraBase Compound ID I1ahW0ujefq
InChI InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-24(29)26(5-2,6-3)25(30)32-23-21(27)18-17-19-22(23)28/h17-19H,4-16,20H2,1-3H3
InChIKey DJYIBTJJOZGFSI-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C26H40Cl2O4
Exact Mass 486.230365 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 6EV41sHXSj6
Name Diethylmalonic acid, 2,6-dichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.230365164 u
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-24(29)26(5-2,6-3)25(30)32-23-21(27)18-17-19-22(23)28/h17-19H,4-16,20H2,1-3H3
InChIKey DJYIBTJJOZGFSI-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC)C