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3-TRIFLUOROMETHYL-2-PENTAFLUOROETHYL-3-FLUORO-7-OXA-2-AZABICYCLO[2.2.1]HEPT-5-ENE (ENDO/EXO MIXTURE)
SpectraBase Compound ID 6yPQV4u4Yfa
InChI InChI=1S/C8H4F9NO/c9-5(6(10,11)12)3-1-2-4(19-3)18(5)8(16,17)7(13,14)15/h1-4H
InChIKey DIGZZAQNPSIAJT-UHFFFAOYSA-N
Mol Weight 301.11 g/mol
Molecular Formula C8H4F9NO
Exact Mass 301.014917 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Du4yx8skgTW
Name 3-TRIFLUOROMETHYL-2-PENTAFLUOROETHYL-3-FLUORO-7-OXA-2-AZABICYCLO[2.2.1]HEPT-5-ENE (ENDO/EXO MIXTURE)
Comments ISOMER RATIO 2.5:1. NAME DEFINED (S.T.). SCALE INVERTED;R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H4F9NO
InChI InChI=1S/C8H4F9NO/c9-5(6(10,11)12)3-1-2-4(19-3)18(5)8(16,17)7(13,14)15/h1-4H
InChIKey DIGZZAQNPSIAJT-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.A.AL'BEKOV, A.F.BENDA, A.F.GONTAR, G.A.SOKOL'SKY, I.L.KNUNYANTS (1988)Izv.Akad.Nauk SSSR(Russ. Lang.): N4, 897-900.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform