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Diethylmalonic acid, 2,6-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dichlorophenyl nonyl ester
SpectraBase Compound ID 7zNWYIa0NCz
InChI InChI=1S/C22H32Cl2O4/c1-4-7-8-9-10-11-12-16-27-20(25)22(5-2,6-3)21(26)28-19-17(23)14-13-15-18(19)24/h13-15H,4-12,16H2,1-3H3
InChIKey LLYFXSNZZURLCN-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

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SpectraBase Spectrum ID 66mjzyIk5Af
Name Diethylmalonic acid, 2,6-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/c1-4-7-8-9-10-11-12-16-27-20(25)22(5-2,6-3)21(26)28-19-17(23)14-13-15-18(19)24/h13-15H,4-12,16H2,1-3H3
InChIKey LLYFXSNZZURLCN-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC)C