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2,2-BIS(TRIFLUOROMETHYL)-3-CYANOAZIRIDINE
SpectraBase Compound ID 8VnhwUuo2Cz
InChI InChI=1S/C5H2F6N2/c6-4(7,8)3(5(9,10)11)2(1-12)13-3/h2,13H/t2-/m1/s1
InChIKey FWRQUQQDTHUNSX-UWTATZPHSA-N
Mol Weight 204.08 g/mol
Molecular Formula C5H2F6N2
Exact Mass 204.012217 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jd5KXlizJNt
Name 2,2-BIS(TRIFLUOROMETHYL)-3-CYANOAZIRIDINE
Comments CF3COOH WAS ADDED TO SOLUTION. CIS AND TRANS CF3 WERE ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H2F6N2
InChI InChI=1S/C5H2F6N2/c6-4(7,8)3(5(9,10)11)2(1-12)13-3/h2,13H/t2-/m1/s1
InChIKey FWRQUQQDTHUNSX-UWTATZPHSA-N
Instrument Name Jeol FX-60
Literature Reference R.G.KOSTYANOVSKY, G.K.KADORKINA, A.P.PLESHKOVA (1976) Izv.Akad.Nauk SSSR(Russ.Lang.): N5, 1187-1189.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6F6 hexafluorobenze