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4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl, trimethylacetate

View entire compound with spectra: 1 NMR

4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl, trimethylacetate
SpectraBase Compound ID AxGhBbDDeh1
InChI InChI=1S/C17H13Cl5O2/c1-17(2,3)16(23)24-12-5-4-8(6-9(12)18)13-14(21)10(19)7-11(20)15(13)22/h4-7H,1-3H3
InChIKey GPKRLZKAWRVXCL-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 IROXvEocXas
Name 4-Hydroxy-2',3,3',5',6'-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(6-9(12)18)13-14(21)10(19)7-11(20)15(13)22/h4-7H,1-3H3
InChIKey GPKRLZKAWRVXCL-UHFFFAOYSA-N
Molecular Weight 426.554 g/mol
SMILES C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=CC(=C(C=C1)OC(C(C)(C)C)=O)Cl