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Diethylmalonic acid, nonyl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, nonyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID AZ6Sb3pG3mp
InChI InChI=1S/C22H31Cl3O4/c1-4-7-8-9-10-11-12-13-28-20(26)22(5-2,6-3)21(27)29-19-15-17(24)16(23)14-18(19)25/h14-15H,4-13H2,1-3H3
InChIKey ILOAYLAJDBEUFL-UHFFFAOYSA-N
Mol Weight 465.85 g/mol
Molecular Formula C22H31Cl3O4
Exact Mass 464.128793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEaJag5wZem
Name Diethylmalonic acid, nonyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.128792574 u
Formula C22H31Cl3O4
InChI InChI=1S/C22H31Cl3O4/c1-4-7-8-9-10-11-12-13-28-20(26)22(5-2,6-3)21(27)29-19-15-17(24)16(23)14-18(19)25/h14-15H,4-13H2,1-3H3
InChIKey ILOAYLAJDBEUFL-UHFFFAOYSA-N
Molecular Weight 465.845 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O)CC)C