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2,3-DI[BIS(TRIFLUOROMETHYL)NITROXY]-6-TRIFLUOROMETHYL-5-PENTAFLUOROETHYL-6-FLUORO-5-AZABICYCLO[2.2.1]HEPTANE (TWO-ISOMER MIXTURE)

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2,3-DI[BIS(TRIFLUOROMETHYL)NITROXY]-6-TRIFLUOROMETHYL-5-PENTAFLUOROETHYL-6-FLUORO-5-AZABICYCLO[2.2.1]HEPTANE (TWO-ISOMER MIXTURE)
SpectraBase Compound ID 5ALFx6M4wMK
InChI InChI=1S/C13H6F21N3O2/c14-6(7(15,16)17)2-1-3(35(6)9(21,22)8(18,19)20)5(39-37(12(29,30)31)13(32,33)34)4(2)38-36(10(23,24)25)11(26,27)28/h2-5H,1H2
InChIKey SFSURZUYYMFUCN-UHFFFAOYSA-N
Mol Weight 635.18 g/mol
Molecular Formula C13H6F21N3O2
Exact Mass 635.012468 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBd5aADDdZM
Name 2,3-DI[BIS(TRIFLUOROMETHYL)NITROXY]-6-TRIFLUOROMETHYL-5-PENTAFLUOROETHYL-6-FLUORO-5-AZABICYCLO[2.2.1]HEPTANE (TWO-ISOMER MIXTURE)
Comments SCALE INVERTED;R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H6F21N3O2
InChI InChI=1S/C13H6F21N3O2/c14-6(7(15,16)17)2-1-3(35(6)9(21,22)8(18,19)20)5(39-37(12(29,30)31)13(32,33)34)4(2)38-36(10(23,24)25)11(26,27)28/h2-5H,1H2
InChIKey SFSURZUYYMFUCN-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 (1986)Izv.Akad.Nauk SSSR(Russ. Lang.): N6, 1437-1440.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported