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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2,5-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,5-dichlorophenyl nonyl ester
SpectraBase Compound ID 9vw9ijbzqzZ
InChI InChI=1S/C22H32Cl2O4/c1-4-7-8-9-10-11-12-15-27-20(25)22(5-2,6-3)21(26)28-19-16-17(23)13-14-18(19)24/h13-14,16H,4-12,15H2,1-3H3
InChIKey XIDGEGCNEAJJBV-UHFFFAOYSA-N
Mol Weight 431.4 g/mol
Molecular Formula C22H32Cl2O4
Exact Mass 430.167765 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 725fh3476Mn
Name Diethylmalonic acid, 2,5-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.167764906 u
Formula C22H32Cl2O4
InChI InChI=1S/C22H32Cl2O4/c1-4-7-8-9-10-11-12-15-27-20(25)22(5-2,6-3)21(26)28-19-16-17(23)13-14-18(19)24/h13-14,16H,4-12,15H2,1-3H3
InChIKey XIDGEGCNEAJJBV-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CC)C