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4-Hydroxy-2',3,3',5,5',6'-hexachlorobiphenyl, 2-methylpropionate

View entire compound with spectra: 1 NMR

4-Hydroxy-2',3,3',5,5',6'-hexachlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID GpSFs40PsN5
InChI InChI=1S/C16H10Cl6O2/c1-6(2)16(23)24-15-10(19)3-7(4-11(15)20)12-13(21)8(17)5-9(18)14(12)22/h3-6H,1-2H3
InChIKey UKKGUOQGEMOEFC-UHFFFAOYSA-N
Mol Weight 447.0 g/mol
Molecular Formula C16H10Cl6O2
Exact Mass 443.881196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyqQfS2KXrY
Name 4-Hydroxy-2',3,3',5,5',6'-hexachlorobiphenyl, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 443.881195760 u
Formula C16H10Cl6O2
InChI InChI=1S/C16H10Cl6O2/c1-6(2)16(23)24-15-10(19)3-7(4-11(15)20)12-13(21)8(17)5-9(18)14(12)22/h3-6H,1-2H3
InChIKey UKKGUOQGEMOEFC-UHFFFAOYSA-N
Molecular Weight 446.972 g/mol
SMILES C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=CC(=C(C(=C1)Cl)OC(C(C)C)=O)Cl