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2,4-DI(ALPHA-HYDROXYHEXAFLUOROISOPROPYL)-5-METHYLPHENOL
SpectraBase Compound ID 99ZA7INLOpm
InChI InChI=1S/C13H8F12O3/c1-4-2-7(26)6(9(28,12(20,21)22)13(23,24)25)3-5(4)8(27,10(14,15)16)11(17,18)19/h2-3,26-28H,1H3
InChIKey SAQWBWNKQFVLST-UHFFFAOYSA-N
Mol Weight 440.18 g/mol
Molecular Formula C13H8F12O3
Exact Mass 440.028182 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OBHk89UJTc
Name 2,4-DI(ALPHA-HYDROXYHEXAFLUOROISOPROPYL)-5-METHYLPHENOL
Comments SCALE INVERTED;WP-200SY (BRUKER)
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Formula C13H8F12O3
InChI InChI=1S/C13H8F12O3/c1-4-2-7(26)6(9(28,12(20,21)22)13(23,24)25)3-5(4)8(27,10(14,15)16)11(17,18)19/h2-3,26-28H,1H3
InChIKey SAQWBWNKQFVLST-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, A.F.KOLOMIETS, A.V.FOKIN (1987) Izv.Akad.Nauk SSSR(Russ. Lang.):N12, 2849-2852.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6