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1,1'-BIS[5,5-BIS(TRIFLUOROMETHYL)-1,2,3-TRIAZOLIN-(2)]

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1,1'-BIS[5,5-BIS(TRIFLUOROMETHYL)-1,2,3-TRIAZOLIN-(2)]
SpectraBase Compound ID DPtUofUDL0C
InChI InChI=1S/C8H4F12N6/c9-5(10,11)3(6(12,13)14)1-21-23-25(3)26-4(2-22-24-26,7(15,16)17)8(18,19)20/h1-2H2
InChIKey FTODWEJEJZXTIE-UHFFFAOYSA-N
Mol Weight 412.14 g/mol
Molecular Formula C8H4F12N6
Exact Mass 412.030582 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kr6TiQmoE0m
Name 1,1'-BIS[5,5-BIS(TRIFLUOROMETHYL)-1,2,3-TRIAZOLIN-(2)]
Comments SCALE INVERTED; BROADENED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H4F12N6
InChI InChI=1S/C8H4F12N6/c9-5(10,11)3(6(12,13)14)1-21-23-25(3)26-4(2-22-24-26,7(15,16)17)8(18,19)20/h1-2H2
InChIKey FTODWEJEJZXTIE-UHFFFAOYSA-N
Instrument Name Jeol C-60 HL
Literature Reference K.BURGER, S.TREMMEL, H.SCHICKANEDER (1976) J.Fluor.Chem.: v.7, N5, 471-480.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone