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4-FLUORO-N-(5-TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOL-3-YL-BENZENESULFONAMIDE

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4-FLUORO-N-(5-TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOL-3-YL-BENZENESULFONAMIDE
SpectraBase Compound ID 9Rc4ha9oHsS
InChI InChI=1S/2C9H6F4N4O2S/c2*10-5-1-3-6(4-2-5)20(18,19)17-8-14-7(15-16-8)9(11,12)13/h2*1-4H,(H2,14,15,16,17)
InChIKey CNHUAYFXSISRCH-UHFFFAOYSA-N
Mol Weight 620.45 g/mol
Molecular Formula C18H12F8N8O4S2
Exact Mass 620.029519 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyFqq4idr3E
Name 4-FLUORO-N-(5-TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOL-3-YL-BENZENESULFONAMIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12F8N8O4S2
InChI InChI=1S/2C9H6F4N4O2S/c2*10-5-1-3-6(4-2-5)20(18,19)17-8-14-7(15-16-8)9(11,12)13/h2*1-4H,(H2,14,15,16,17)
InChIKey CNHUAYFXSISRCH-UHFFFAOYSA-N
Literature Reference Author N.BOECHAT,L.C.S.PINHEIRO,O.A.SANTOS-FILHO,I.C.SILVA
Literature Reference Citation MOLECULES,16,8083(2011)
Literature Reference DOI 10.3390/molecules16098083
Solvent DMSO-D6
Source File Reference UWBT222