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

View entire compound with spectra: 1 NMR

4-Hydroxy-2',3',5',6'-tetrachlorobiphenyl, heptafluorobutyrate
SpectraBase Compound ID LHBCXJrHeT9
InChI InChI=1S/C16H5Cl4F7O2/c17-8-5-9(18)12(20)10(11(8)19)6-1-3-7(4-2-6)29-13(28)14(21,22)15(23,24)16(25,26)27/h1-5H
InChIKey LEEQTHFFYHZMNM-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 CQOnMUTnaxv
Name 4-Hydroxy-2',3',5',6'-tetrachlorobiphenyl, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 501.893187340 u
Formula C16H5Cl4F7O2
InChI InChI=1S/C16H5Cl4F7O2/c17-8-5-9(18)12(20)10(11(8)19)6-1-3-7(4-2-6)29-13(28)14(21,22)15(23,24)16(25,26)27/h1-5H
InChIKey LEEQTHFFYHZMNM-UHFFFAOYSA-N
Molecular Weight 504.015 g/mol
SMILES C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F