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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, di(2,4-dichlorophenyl) ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, di(2,4-dichlorophenyl) ester
SpectraBase Compound ID 6in31M7qpeM
InChI InChI=1S/C19H16Cl4O4/c1-3-19(4-2,17(24)26-15-7-5-11(20)9-13(15)22)18(25)27-16-8-6-12(21)10-14(16)23/h5-10H,3-4H2,1-2H3
InChIKey CZSSAJXJLWZZTC-UHFFFAOYSA-N
Mol Weight 450.1 g/mol
Molecular Formula C19H16Cl4O4
Exact Mass 447.98027 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 8AvuRKXoBA
Name Diethylmalonic acid, di(2,4-dichlorophenyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.980269791 u
Formula C19H16Cl4O4
InChI InChI=1S/C19H16Cl4O4/c1-3-19(4-2,17(24)26-15-7-5-11(20)9-13(15)22)18(25)27-16-8-6-12(21)10-14(16)23/h5-10H,3-4H2,1-2H3
InChIKey CZSSAJXJLWZZTC-UHFFFAOYSA-N
Molecular Weight 450.145 g/mol
SMILES CCC(C(OC1=CC=C(C=C1Cl)Cl)=O)(C(OC1=C(C=C(C=C1)Cl)Cl)=O)CC