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Diethylmalonic acid, 2,4-dichlorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,4-dichlorophenyl heptyl ester
SpectraBase Compound ID KtbR5K4We0d
InChI InChI=1S/C20H28Cl2O4/c1-4-7-8-9-10-13-25-18(23)20(5-2,6-3)19(24)26-17-12-11-15(21)14-16(17)22/h11-12,14H,4-10,13H2,1-3H3
InChIKey IZCYYTYNKHHCJJ-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 3ReFsdQhfT6
Name Diethylmalonic acid, 2,4-dichlorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.136464778 u
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-4-7-8-9-10-13-25-18(23)20(5-2,6-3)19(24)26-17-12-11-15(21)14-16(17)22/h11-12,14H,4-10,13H2,1-3H3
InChIKey IZCYYTYNKHHCJJ-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C(C(C(OCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)Cl)=O)CC)C