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4-Hydroxy-2',3',4',5'-tetrachlorobiphenyl, heptafluorobutyrate

View entire compound with spectra: 1 NMR

4-Hydroxy-2',3',4',5'-tetrachlorobiphenyl, heptafluorobutyrate
SpectraBase Compound ID 9LSkNwa7yz3
InChI InChI=1S/C16H5Cl4F7O2/c17-9-5-8(10(18)12(20)11(9)19)6-1-3-7(4-2-6)29-13(28)14(21,22)15(23,24)16(25,26)27/h1-5H
InChIKey FFOMNMHVHHWWSU-UHFFFAOYSA-N
Mol Weight 504.0 g/mol
Molecular Formula C16H5Cl4F7O2
Exact Mass 501.893187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TtJNFkngtv
Name 4-Hydroxy-2',3',4',5'-tetrachlorobiphenyl, heptafluorobutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.893187340 u
Formula C16H5Cl4F7O2
InChI InChI=1S/C16H5Cl4F7O2/c17-9-5-8(10(18)12(20)11(9)19)6-1-3-7(4-2-6)29-13(28)14(21,22)15(23,24)16(25,26)27/h1-5H
InChIKey FFOMNMHVHHWWSU-UHFFFAOYSA-N
Molecular Weight 504.015 g/mol
SMILES C1(C2=C(C(=C(C(=C2)Cl)Cl)Cl)Cl)=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F