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Diethylmalonic acid, 2,3-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,3-dichlorophenyl dodecyl ester
SpectraBase Compound ID KMUBY2HyWWy
InChI InChI=1S/C25H38Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-19-30-23(28)25(5-2,6-3)24(29)31-21-18-16-17-20(26)22(21)27/h16-18H,4-15,19H2,1-3H3
InChIKey KKCOBXBFIRKSDE-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bOjb5Q4c9z
Name Diethylmalonic acid, 2,3-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-19-30-23(28)25(5-2,6-3)24(29)31-21-18-16-17-20(26)22(21)27/h16-18H,4-15,19H2,1-3H3
InChIKey KKCOBXBFIRKSDE-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)Cl)Cl)=O)CC