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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2,5-dichlorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,5-dichlorophenyl heptyl ester
SpectraBase Compound ID peb4KJiAQj
InChI InChI=1S/C20H28Cl2O4/c1-4-7-8-9-10-13-25-18(23)20(5-2,6-3)19(24)26-17-14-15(21)11-12-16(17)22/h11-12,14H,4-10,13H2,1-3H3
InChIKey HYKAQUFDNYDPJJ-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 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 GmLuMy9JwNe
Name Diethylmalonic acid, 2,5-dichlorophenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.136464778 u
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-4-7-8-9-10-13-25-18(23)20(5-2,6-3)19(24)26-17-14-15(21)11-12-16(17)22/h11-12,14H,4-10,13H2,1-3H3
InChIKey HYKAQUFDNYDPJJ-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CC