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

View entire compound with spectra: 1 NMR

4-Hydroxy-2',4',6'-trichlorobiphenyl, heptafluorobutyrate
SpectraBase Compound ID DB0hZhabIc1
InChI InChI=1S/C16H6Cl3F7O2/c17-8-5-10(18)12(11(19)6-8)7-1-3-9(4-2-7)28-13(27)14(20,21)15(22,23)16(24,25)26/h1-6H
InChIKey CKZBWIOBHUBBCY-UHFFFAOYSA-N
Mol Weight 469.57 g/mol
Molecular Formula C16H6Cl3F7O2
Exact Mass 467.93216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93zYVwiuv2Q
Name 4-Hydroxy-2',4',6'-trichlorobiphenyl, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 467.932159672 u
Formula C16H6Cl3F7O2
InChI InChI=1S/C16H6Cl3F7O2/c17-8-5-10(18)12(11(19)6-8)7-1-3-9(4-2-7)28-13(27)14(20,21)15(22,23)16(24,25)26/h1-6H
InChIKey CKZBWIOBHUBBCY-UHFFFAOYSA-N
Molecular Weight 469.570 g/mol
SMILES C1(C2=C(C=C(C=C2Cl)Cl)Cl)=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F