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2-(ALPHA-HYDROXYHEXAFLUOROISOPROPYL)-4-(1-HYDROXY-1-CARBOXYTRIFLUOROETHYL)-6-METHYLPHENOL
SpectraBase Compound ID BCD4RBn6qn7
InChI InChI=1S/C13H9F9O5/c1-4-2-5(9(26,8(24)25)11(14,15)16)3-6(7(4)23)10(27,12(17,18)19)13(20,21)22/h2-3,23,26-27H,1H3,(H,24,25)
InChIKey IDRJXAAUCCTYRK-UHFFFAOYSA-N
Mol Weight 416.2 g/mol
Molecular Formula C13H9F9O5
Exact Mass 416.030627 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0ttKz7J3UA
Name 2-(ALPHA-HYDROXYHEXAFLUOROISOPROPYL)-4-(1-HYDROXY-1-CARBOXYTRIFLUOROETHYL)-6-METHYLPHENOL
Comments ALL PEAKS WERE ASSIGNED (S.T.). SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9F9O5
InChI InChI=1S/C13H9F9O5/c1-4-2-5(9(26,8(24)25)11(14,15)16)3-6(7(4)23)10(27,12(17,18)19)13(20,21)22/h2-3,23,26-27H,1H3,(H,24,25)
InChIKey IDRJXAAUCCTYRK-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN (1989) Izv.Akad.NaukSSSR(Russ. Lang.): N4, 923-928.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6