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

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, decyl pentachlorophenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, decyl pentachlorophenyl ester
SpectraBase Compound ID GfdUTUQVPWv
InChI InChI=1S/C21H27Cl5O4/c1-4-5-6-7-8-9-10-11-12-29-19(27)21(2,3)20(28)30-18-16(25)14(23)13(22)15(24)17(18)26/h4-12H2,1-3H3
InChIKey WIVDOBGEGNUACA-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C21H27Cl5O4
Exact Mass 518.035198 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 1rTXcVd9xlR
Name Dimethylmalonic acid, decyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.035197845 u
Formula C21H27Cl5O4
InChI InChI=1S/C21H27Cl5O4/c1-4-5-6-7-8-9-10-11-12-29-19(27)21(2,3)20(28)30-18-16(25)14(23)13(22)15(24)17(18)26/h4-12H2,1-3H3
InChIKey WIVDOBGEGNUACA-UHFFFAOYSA-N
Molecular Weight 520.708 g/mol
SMILES CCCCCCCCCCOC(C(C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)(C)C)=O