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4-PENTAFLUOROETHYL-3-TRIFLUOROMETHYL-1H-1,5-BENZODIAZEPIN-2(3H)-ONE
SpectraBase Compound ID H4IbgrjvfXd
InChI InChI=1S/C12H6F8N2O/c13-10(14,12(18,19)20)8-7(11(15,16)17)9(23)22-6-4-2-1-3-5(6)21-8/h1-4,7H,(H,22,23)
InChIKey DJALVKVKJJHNTA-UHFFFAOYSA-N
Mol Weight 346.18 g/mol
Molecular Formula C12H6F8N2O
Exact Mass 346.035238 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALqnulCWoX5
Name 4-PENTAFLUOROETHYL-3-TRIFLUOROMETHYL-1H-1,5-BENZODIAZEPIN-2(3H)-ONE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H6F8N2O
InChI InChI=1S/C12H6F8N2O/c13-10(14,12(18,19)20)8-7(11(15,16)17)9(23)22-6-4-2-1-3-5(6)21-8/h1-4,7H,(H,22,23)
InChIKey DJALVKVKJJHNTA-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