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Diglycolic acid, di(2,4,6-trichlorophenyl) ester

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Diglycolic acid, di(2,4,6-trichlorophenyl) ester
SpectraBase Compound ID 5ZWtUGQchE5
InChI InChI=1S/C16H8Cl6O5/c17-7-1-9(19)15(10(20)2-7)26-13(23)5-25-6-14(24)27-16-11(21)3-8(18)4-12(16)22/h1-4H,5-6H2
InChIKey QDCFBGDCGXSAST-UHFFFAOYSA-N
Mol Weight 493.0 g/mol
Molecular Formula C16H8Cl6O5
Exact Mass 489.85029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMZ0kALkIHD
Name Diglycolic acid, di(2,4,6-trichlorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 489.850289553 u
Formula C16H8Cl6O5
InChI InChI=1S/C16H8Cl6O5/c17-7-1-9(19)15(10(20)2-7)26-13(23)5-25-6-14(24)27-16-11(21)3-8(18)4-12(16)22/h1-4H,5-6H2
InChIKey QDCFBGDCGXSAST-UHFFFAOYSA-N
Molecular Weight 492.953 g/mol
SMILES C(COCC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl)(=O)OC1=C(C=C(C=C1Cl)Cl)Cl