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Diethylmalonic acid, isobutyl 2,4,6-trichlorophenyl ester

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Diethylmalonic acid, isobutyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 7qMKKOjFblH
InChI InChI=1S/C17H21Cl3O4/c1-5-17(6-2,15(21)23-9-10(3)4)16(22)24-14-12(19)7-11(18)8-13(14)20/h7-8,10H,5-6,9H2,1-4H3
InChIKey CQZSGENUFLFSER-UHFFFAOYSA-N
Mol Weight 395.71 g/mol
Molecular Formula C17H21Cl3O4
Exact Mass 394.050542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlWx1nhh8g1
Name Diethylmalonic acid, isobutyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.050542252 u
Formula C17H21Cl3O4
InChI InChI=1S/C17H21Cl3O4/c1-5-17(6-2,15(21)23-9-10(3)4)16(22)24-14-12(19)7-11(18)8-13(14)20/h7-8,10H,5-6,9H2,1-4H3
InChIKey CQZSGENUFLFSER-UHFFFAOYSA-N
Molecular Weight 395.710 g/mol
SMILES CCC(C(OCC(C)C)=O)(C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)CC