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7-METHYL-4-FLUORO-2-PENTAFLUOROETHYL-3-TRIFLUOROMETHYL-1,5-BENZOXAZEPINE
SpectraBase Compound ID ILzgildmnVC
InChI InChI=1S/C13H6F9NO/c1-5-2-3-7-6(4-5)23-10(14)8(12(17,18)19)9(24-7)11(15,16)13(20,21)22/h2-4H,1H3
InChIKey TVHKIXGBUUGKCW-UHFFFAOYSA-N
Mol Weight 363.18 g/mol
Molecular Formula C13H6F9NO
Exact Mass 363.030567 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0upmLsIuL
Name 7-METHYL-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 C13H6F9NO
InChI InChI=1S/C13H6F9NO/c1-5-2-3-7-6(4-5)23-10(14)8(12(17,18)19)9(24-7)11(15,16)13(20,21)22/h2-4H,1H3
InChIKey TVHKIXGBUUGKCW-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