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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, di(2,4,5-trichlorophenyl) ester
SpectraBase Compound ID HHM57G2TJBX
InChI InChI=1S/C19H14Cl6O4/c1-3-19(4-2,17(26)28-15-7-11(22)9(20)5-13(15)24)18(27)29-16-8-12(23)10(21)6-14(16)25/h5-8H,3-4H2,1-2H3
InChIKey IHGJNQKTTICEKC-UHFFFAOYSA-N
Mol Weight 519.0 g/mol
Molecular Formula C19H14Cl6O4
Exact Mass 515.902325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFukVLy3BKp
Name Diethylmalonic acid, di(2,4,5-trichlorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 515.902325127 u
Formula C19H14Cl6O4
InChI InChI=1S/C19H14Cl6O4/c1-3-19(4-2,17(26)28-15-7-11(22)9(20)5-13(15)24)18(27)29-16-8-12(23)10(21)6-14(16)25/h5-8H,3-4H2,1-2H3
InChIKey IHGJNQKTTICEKC-UHFFFAOYSA-N
Molecular Weight 519.035 g/mol
SMILES CCC(C(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)(C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O)CC