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

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, 2,5-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,5-dichlorophenyl dodecyl ester
SpectraBase Compound ID 3uPjS9aKcyG
InChI InChI=1S/C23H34Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-16-28-21(26)23(2,3)22(27)29-20-17-18(24)14-15-19(20)25/h14-15,17H,4-13,16H2,1-3H3
InChIKey RHXWTILLHPZYAS-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C23H34Cl2O4
Exact Mass 444.183415 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 5KVqpL0jDrb
Name Dimethylmalonic acid, 2,5-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.183414971 u
Formula C23H34Cl2O4
InChI InChI=1S/C23H34Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-16-28-21(26)23(2,3)22(27)29-20-17-18(24)14-15-19(20)25/h14-15,17H,4-13,16H2,1-3H3
InChIKey RHXWTILLHPZYAS-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C1=CC(=CC(=C1Cl)OC(C(C(OCCCCCCCCCCCC)=O)(C)C)=O)Cl