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4-Hydroxy-2',3',5',6'-tetrachlorobiphenyl, pentafluoropropionate

View entire compound with spectra: 1 NMR

4-Hydroxy-2',3',5',6'-tetrachlorobiphenyl, pentafluoropropionate
SpectraBase Compound ID JcIGVroZgIT
InChI InChI=1S/C15H5Cl4F5O2/c16-8-5-9(17)12(19)10(11(8)18)6-1-3-7(4-2-6)26-13(25)14(20,21)15(22,23)24/h1-5H
InChIKey XVSSSBNIIUESNU-UHFFFAOYSA-N
Mol Weight 454.0 g/mol
Molecular Formula C15H5Cl4F5O2
Exact Mass 451.896381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpOpTS7CQoV
Name 4-Hydroxy-2',3',5',6'-tetrachlorobiphenyl, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.896381014 u
Formula C15H5Cl4F5O2
InChI InChI=1S/C15H5Cl4F5O2/c16-8-5-9(17)12(19)10(11(8)18)6-1-3-7(4-2-6)26-13(25)14(20,21)15(22,23)24/h1-5H
InChIKey XVSSSBNIIUESNU-UHFFFAOYSA-N
Molecular Weight 454.007 g/mol
SMILES C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O