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2-Hydroxy-2',4',6'-trichlorobiphenyl, pentafluoropropionate

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2-Hydroxy-2',4',6'-trichlorobiphenyl, pentafluoropropionate
SpectraBase Compound ID 4ANwy30UcOB
InChI InChI=1S/C15H6Cl3F5O2/c16-7-5-9(17)12(10(18)6-7)8-3-1-2-4-11(8)25-13(24)14(19,20)15(21,22)23/h1-6H
InChIKey OMVZAYSPGNKIIK-UHFFFAOYSA-N
Mol Weight 419.56 g/mol
Molecular Formula C15H6Cl3F5O2
Exact Mass 417.935353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVEZ0htv5z7
Name 2-Hydroxy-2',4',6'-trichlorobiphenyl, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.935353346 u
Formula C15H6Cl3F5O2
InChI InChI=1S/C15H6Cl3F5O2/c16-7-5-9(17)12(10(18)6-7)8-3-1-2-4-11(8)25-13(24)14(19,20)15(21,22)23/h1-6H
InChIKey OMVZAYSPGNKIIK-UHFFFAOYSA-N
Molecular Weight 419.562 g/mol
SMILES C1(C2=C(C=C(C=C2Cl)Cl)Cl)=C(C=CC=C1)OC(C(C(F)(F)F)(F)F)=O