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Diethylmalonic acid, decyl 2,5-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2,5-dichlorophenyl ester
SpectraBase Compound ID LNM3Y6OIqYi
InChI InChI=1S/C23H34Cl2O4/c1-4-7-8-9-10-11-12-13-16-28-21(26)23(5-2,6-3)22(27)29-20-17-18(24)14-15-19(20)25/h14-15,17H,4-13,16H2,1-3H3
InChIKey UVBKXAPDIFXAQQ-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C23H34Cl2O4
Exact Mass 444.183415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdUJBtkXA8r
Name Diethylmalonic acid, decyl 2,5-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.183414971 u
Formula C23H34Cl2O4
InChI InChI=1S/C23H34Cl2O4/c1-4-7-8-9-10-11-12-13-16-28-21(26)23(5-2,6-3)22(27)29-20-17-18(24)14-15-19(20)25/h14-15,17H,4-13,16H2,1-3H3
InChIKey UVBKXAPDIFXAQQ-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CC