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Dimethylmalonic acid, di(2,4,5-trichlorophenyl) ester

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Dimethylmalonic acid, di(2,4,5-trichlorophenyl) ester
SpectraBase Compound ID C4pVSJ4D3ij
InChI InChI=1S/C17H10Cl6O4/c1-17(2,15(24)26-13-5-9(20)7(18)3-11(13)22)16(25)27-14-6-10(21)8(19)4-12(14)23/h3-6H,1-2H3
InChIKey PCDWNRJWLKVPGO-UHFFFAOYSA-N
Mol Weight 491.0 g/mol
Molecular Formula C17H10Cl6O4
Exact Mass 487.871025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5upl45dNaq
Name Dimethylmalonic acid, di(2,4,5-trichlorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 487.871024998 u
Formula C17H10Cl6O4
InChI InChI=1S/C17H10Cl6O4/c1-17(2,15(24)26-13-5-9(20)7(18)3-11(13)22)16(25)27-14-6-10(21)8(19)4-12(14)23/h3-6H,1-2H3
InChIKey PCDWNRJWLKVPGO-UHFFFAOYSA-N
Molecular Weight 490.981 g/mol
SMILES C1(=C(C=C(C(=C1)Cl)OC(C(C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O)(C)C)=O)Cl)Cl