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4,6-Bis-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-benzene-1,3-diol
SpectraBase Compound ID 6WXJ0fcdNsS
InChI InChI=1S/C12H6F12O4/c13-9(14,15)7(27,10(16,17)18)3-1-4(6(26)2-5(3)25)8(28,11(19,20)21)12(22,23)24/h1-2,25-28H
InChIKey TXFXXEJWUDKWKN-UHFFFAOYSA-N
Mol Weight 442.16 g/mol
Molecular Formula C12H6F12O4
Exact Mass 442.007447 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYLnrDoXeLg
Name 1,5-DIHYDROXY-2,4-DI(ALPHA-HEXAFLUOROISOPROPYL)BENZENE
Comments SCALE INVERTED;WP-200SY (BRUKER)
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Formula C12H6F12O4
InChI InChI=1S/C12H6F12O4/c13-9(14,15)7(27,10(16,17)18)3-1-4(6(26)2-5(3)25)8(28,11(19,20)21)12(22,23)24/h1-2,25-28H
InChIKey TXFXXEJWUDKWKN-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, A.F.KOLOMIETS, A.V.FOKIN (1987) Izv.Akad.Nauk SSSR(Russ. Lang.):N5, 1080-1085.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6