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1-Trifluoromethylsulfonyl-1H-1,2,4-triazole

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1-Trifluoromethylsulfonyl-1H-1,2,4-triazole
SpectraBase Compound ID 7Gx76yNqcwa
InChI InChI=1S/C3H2F3N3O2S/c4-3(5,6)12(10,11)9-2-7-1-8-9/h1-2H
InChIKey FWAJJGAELVXKRV-UHFFFAOYSA-N
Mol Weight 201.12 g/mol
Molecular Formula C3H2F3N3O2S
Exact Mass 200.981982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AU9yOVVAWgL
Name 1-Trifluoromethylsulfonyl-1H-1,2,4-triazole
CAS Registry Number 117632-73-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C3H2F3N3O2S
InChI InChI=1S/C3H2F3N3O2S/c4-3(5,6)12(10,11)9-2-7-1-8-9/h1-2H
InChIKey FWAJJGAELVXKRV-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference M. Begtrup, J. Elguero, R. Faure, Magn. Res. Chem. 26, 134 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3