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5-Fluoro-2,4-bis-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenol
SpectraBase Compound ID LqvLQBRl0ZC
InChI InChI=1S/C12H5F13O3/c13-5-2-6(26)4(8(28,11(20,21)22)12(23,24)25)1-3(5)7(27,9(14,15)16)10(17,18)19/h1-2,26-28H
InChIKey SRCIPCBMDVGBKL-UHFFFAOYSA-N
Mol Weight 444.15 g/mol
Molecular Formula C12H5F13O3
Exact Mass 444.00311 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ac3mR8mQHWt
Name 2,4-BIS(ALPHA-HYDROXYHEXAFLUOROISOPROPYL)-5-FLUOROPHENOL
Comments -26.3(D)-MAY BE ERRATA IN MULTIPLICITY. SCALE INVERTED;R-32 (PERKIN-ELMER)
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Formula C12H5F13O3
InChI InChI=1S/C12H5F13O3/c13-5-2-6(26)4(8(28,11(20,21)22)12(23,24)25)1-3(5)7(27,9(14,15)16)10(17,18)19/h1-2,26-28H
InChIKey SRCIPCBMDVGBKL-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, A.F.KOLOMIETS, A.V.FOKIN (1988) Izv.Akad.Nauk SSSR(Russ. Lang.):N11, 2557-2561.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6