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Glutaric acid, di(2,4,6-trichlorobenzyl) ester

View entire compound with spectra: 1 NMR

Glutaric acid, di(2,4,6-trichlorobenzyl) ester
SpectraBase Compound ID kVtKN8CXBu
InChI InChI=1S/C19H14Cl6O4/c20-10-4-14(22)12(15(23)5-10)8-28-18(26)2-1-3-19(27)29-9-13-16(24)6-11(21)7-17(13)25/h4-7H,1-3,8-9H2
InChIKey NDIJNMKKLHDVQE-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 1jxgVkjm84G
Name Glutaric acid, di(2,4,6-trichlorobenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 515.902325127 u
Formula C19H14Cl6O4
InChI InChI=1S/C19H14Cl6O4/c20-10-4-14(22)12(15(23)5-10)8-28-18(26)2-1-3-19(27)29-9-13-16(24)6-11(21)7-17(13)25/h4-7H,1-3,8-9H2
InChIKey NDIJNMKKLHDVQE-UHFFFAOYSA-N
Molecular Weight 519.035 g/mol
SMILES C(OCC=1C(Cl)=CC(=CC1Cl)Cl)(=O)CCCC(OCC1=C(C=C(C=C1Cl)Cl)Cl)=O