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

View entire compound with spectra: 1 NMR

2-Hydroxy-2',3',5',6'-tetrachlorobiphenyl, heptafluorobutyrate
SpectraBase Compound ID LjQguQzM8mh
InChI InChI=1S/C16H5Cl4F7O2/c17-7-5-8(18)12(20)10(11(7)19)6-3-1-2-4-9(6)29-13(28)14(21,22)15(23,24)16(25,26)27/h1-5H
InChIKey ZLLPNLYOKWIBMZ-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 Bg5mfkZkUG8
Name 2-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/c17-7-5-8(18)12(20)10(11(7)19)6-3-1-2-4-9(6)29-13(28)14(21,22)15(23,24)16(25,26)27/h1-5H
InChIKey ZLLPNLYOKWIBMZ-UHFFFAOYSA-N
Molecular Weight 504.015 g/mol
SMILES C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=C(C=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F