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2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl, trimethylacetate
SpectraBase Compound ID JZkFNncZ33G
InChI InChI=1S/C17H13Cl5O2/c1-17(2,3)16(23)24-12-5-4-8(18)6-9(12)10-7-11(19)14(21)15(22)13(10)20/h4-7H,1-3H3
InChIKey WRIBYTCXHAUFHX-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C17H13Cl5O2
Exact Mass 423.935818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WEkfncbWN9
Name 2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl, trimethylacetate
Comments Computed using HOSE algorithm
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Exact Mass 423.935818157 u
Formula C17H13Cl5O2
InChI InChI=1S/C17H13Cl5O2/c1-17(2,3)16(23)24-12-5-4-8(18)6-9(12)10-7-11(19)14(21)15(22)13(10)20/h4-7H,1-3H3
InChIKey WRIBYTCXHAUFHX-UHFFFAOYSA-N
Molecular Weight 426.554 g/mol
SMILES C1(C2=C(C(=C(C(=C2)Cl)Cl)Cl)Cl)=C(C=CC(=C1)Cl)OC(C(C)(C)C)=O