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2-(3,3,3-TRIFLUORO-2-HYDROXY-2-TRIFLUOROMETHYLPROPYL)-4,4-BIS(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLINE
SpectraBase Compound ID D5izAAGRnJK
InChI InChI=1S/C14H8F12N2O/c15-11(16,17)9(12(18,19)20)5-8-27-10(13(21,22)23,14(24,25)26)6-3-1-2-4-7(6)28(8)30-29-9/h1-4,27H,5H2
InChIKey ASOKMASKFHPQKC-UHFFFAOYSA-N
Mol Weight 449.22 g/mol
Molecular Formula C14H9F12N2O
Exact Mass 449.052326 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBMGRlddrXk
Name 2-(3,3,3-TRIFLUORO-2-HYDROXY-2-TRIFLUOROMETHYLPROPYL)-4,4-BIS(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLINE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H9F12N2O
InChI InChI=1S/C14H8F12N2O/c15-11(16,17)9(12(18,19)20)5-8-27-10(13(21,22)23,14(24,25)26)6-3-1-2-4-7(6)28(8)30-29-9/h1-4,27H,5H2
InChIKey ASOKMASKFHPQKC-UHFFFAOYSA-N
Instrument Name Jeol C-60 HL
Literature Reference K.BURGER, S.PENNINGER, M.CREISEL, E.DALTROZZO (1980) J.Fluor.Chem.: v.15, N1, 1-27.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6