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4-FLUORO-2-PENTAFLUOROETHYL-3-TRIFLUOROMETHYL-1,5-BENZOXAZEPINE
SpectraBase Compound ID 2o0whAxoyB2
InChI InChI=1S/C12H4F9NO/c13-9-7(11(16,17)18)8(10(14,15)12(19,20)21)23-6-4-2-1-3-5(6)22-9/h1-4H
InChIKey GKGAYHGJFZWYFP-UHFFFAOYSA-N
Mol Weight 349.16 g/mol
Molecular Formula C12H4F9NO
Exact Mass 349.014917 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIcrig0fqnk
Name 4-FLUORO-2-PENTAFLUOROETHYL-3-TRIFLUOROMETHYL-1,5-BENZOXAZEPINE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H4F9NO
InChI InChI=1S/C12H4F9NO/c13-9-7(11(16,17)18)8(10(14,15)12(19,20)21)23-6-4-2-1-3-5(6)22-9/h1-4H
InChIKey GKGAYHGJFZWYFP-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference M.MARUTA, S.KUBOTA, N.YOSHIMURA, T.KITAZUME, N.ISHIKAWA (1980) J.Fluor.Chem.:v.16, N1, 75-88.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported