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2-(3,3,3-TRIFLUORO-2-HYDROXY-2-TRIFLUOROMETHYLPROPYL)-6-METHYL-4,4-BIS(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLINE
SpectraBase Compound ID O3F1gMInRe
InChI InChI=1S/C15H10F12N2O/c1-6-2-3-8-7(4-6)11(14(22,23)24,15(25,26)27)28-9-5-10(12(16,17)18,13(19,20)21)30-31-29(8)9/h2-4,28H,5H2,1H3
InChIKey KXQAXBAWCRTXNA-UHFFFAOYSA-N
Mol Weight 463.25 g/mol
Molecular Formula C15H11F12N2O
Exact Mass 463.067976 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGgHy7RJYim
Name 2-(3,3,3-TRIFLUORO-2-HYDROXY-2-TRIFLUOROMETHYLPROPYL)-6-METHYL-4,4-BIS(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLINE
Comments SCALE INVERTED
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Formula C15H11F12N2O
InChI InChI=1S/C15H10F12N2O/c1-6-2-3-8-7(4-6)11(14(22,23)24,15(25,26)27)28-9-5-10(12(16,17)18,13(19,20)21)30-31-29(8)9/h2-4,28H,5H2,1H3
InChIKey KXQAXBAWCRTXNA-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