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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2-chlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chlorophenyl octyl ester
SpectraBase Compound ID 9O5rVx9OJKG
InChI InChI=1S/C21H31ClO4/c1-4-7-8-9-10-13-16-25-19(23)21(5-2,6-3)20(24)26-18-15-12-11-14-17(18)22/h11-12,14-15H,4-10,13,16H2,1-3H3
InChIKey STXLNQQWKXGIJS-UHFFFAOYSA-N
Mol Weight 382.93 g/mol
Molecular Formula C21H31ClO4
Exact Mass 382.191087 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 3msK0ioIbyr
Name Diethylmalonic acid, 2-chlorophenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.191087174 u
Formula C21H31ClO4
InChI InChI=1S/C21H31ClO4/c1-4-7-8-9-10-13-16-25-19(23)21(5-2,6-3)20(24)26-18-15-12-11-14-17(18)22/h11-12,14-15H,4-10,13,16H2,1-3H3
InChIKey STXLNQQWKXGIJS-UHFFFAOYSA-N
Molecular Weight 382.928 g/mol
SMILES C(C(C(OCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC)C