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

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Glutaric acid, di(2,4,6-trichlorophenyl) ester
SpectraBase Compound ID 254tqxATk2D
InChI InChI=1S/C17H10Cl6O4/c18-8-4-10(20)16(11(21)5-8)26-14(24)2-1-3-15(25)27-17-12(22)6-9(19)7-13(17)23/h4-7H,1-3H2
InChIKey SJRWSTCZRZKDAR-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 HWmJDCLsMZY
Name Glutaric acid, di(2,4,6-trichlorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 487.871024998 u
Formula C17H10Cl6O4
InChI InChI=1S/C17H10Cl6O4/c18-8-4-10(20)16(11(21)5-8)26-14(24)2-1-3-15(25)27-17-12(22)6-9(19)7-13(17)23/h4-7H,1-3H2
InChIKey SJRWSTCZRZKDAR-UHFFFAOYSA-N
Molecular Weight 490.981 g/mol
SMILES C1(=CC(=C(C(=C1)Cl)OC(CCCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)=O)Cl)Cl