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Diethylmalonic acid, 2,6-dichlorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dichlorophenyl heptyl ester
SpectraBase Compound ID G0DnAKNjcuU
InChI InChI=1S/C20H28Cl2O4/c1-4-7-8-9-10-14-25-18(23)20(5-2,6-3)19(24)26-17-15(21)12-11-13-16(17)22/h11-13H,4-10,14H2,1-3H3
InChIKey JWLPFRGZWPHAGR-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ek0yJTt9jR0
Name Diethylmalonic acid, 2,6-dichlorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.136464778 u
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-4-7-8-9-10-14-25-18(23)20(5-2,6-3)19(24)26-17-15(21)12-11-13-16(17)22/h11-13H,4-10,14H2,1-3H3
InChIKey JWLPFRGZWPHAGR-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC