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Diethylmalonic acid, 2,4-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,4-dichlorophenyl nonyl ester
SpectraBase Compound ID CoF5MF9a4oy
InChI InChI=1S/C22H32Cl2O4/c1-4-7-8-9-10-11-12-15-27-20(25)22(5-2,6-3)21(26)28-19-14-13-17(23)16-18(19)24/h13-14,16H,4-12,15H2,1-3H3
InChIKey HJVCMTKKZATCGV-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 KfQPVbZrgkJ
Name Diethylmalonic acid, 2,4-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.167764906 u
Formula C22H32Cl2O4
InChI InChI=1S/C22H32Cl2O4/c1-4-7-8-9-10-11-12-15-27-20(25)22(5-2,6-3)21(26)28-19-14-13-17(23)16-18(19)24/h13-14,16H,4-12,15H2,1-3H3
InChIKey HJVCMTKKZATCGV-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)Cl)=O)CC