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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 4-chloro-2-methylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chloro-2-methylphenyl tridecyl ester
SpectraBase Compound ID 8QWUaHu9KAN
InChI InChI=1S/C27H43ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-20-31-25(29)27(6-2,7-3)26(30)32-24-19-18-23(28)21-22(24)4/h18-19,21H,5-17,20H2,1-4H3
InChIKey WWZDETNINPCMPZ-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 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 ISXiBhBQE3H
Name Diethylmalonic acid, 4-chloro-2-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-20-31-25(29)27(6-2,7-3)26(30)32-24-19-18-23(28)21-22(24)4/h18-19,21H,5-17,20H2,1-4H3
InChIKey WWZDETNINPCMPZ-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)C)=O)CC