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

View entire compound with spectra: 1 NMR

4-Hydroxy-2',3,3',4',5,5'-hexachlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID CX5KHBF0k2I
InChI InChI=1S/C16H10Cl6O2/c1-6(2)16(23)24-15-10(18)3-7(4-11(15)19)8-5-9(17)13(21)14(22)12(8)20/h3-6H,1-2H3
InChIKey YFLWQPPGGJUEPO-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 767Imk7DIY0
Name 4-Hydroxy-2',3,3',4',5,5'-hexachlorobiphenyl, 2-methylpropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.881195760 u
Formula C16H10Cl6O2
InChI InChI=1S/C16H10Cl6O2/c1-6(2)16(23)24-15-10(18)3-7(4-11(15)19)8-5-9(17)13(21)14(22)12(8)20/h3-6H,1-2H3
InChIKey YFLWQPPGGJUEPO-UHFFFAOYSA-N
Molecular Weight 446.972 g/mol
SMILES C1(C2=C(C(=C(C(=C2)Cl)Cl)Cl)Cl)=CC(=C(C(=C1)Cl)OC(C(C)C)=O)Cl