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1-[4-(TRIFLUOROMETHYLTHIO)-PHENYL]-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID CHi9alOz0lV
InChI InChI=1S/C14H12ClF3N4OS2/c1-7-10(11(15)22(2)21-7)12(23)20-13(24)19-8-3-5-9(6-4-8)25-14(16,17)18/h3-6H,1-2H3,(H2,19,20,23,24)
InChIKey UZGHQJYBFTURQV-UHFFFAOYSA-N
Mol Weight 408.85 g/mol
Molecular Formula C14H12ClF3N4OS2
Exact Mass 408.009316 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UC4dQxCLeb
Name 1-[4-(TRIFLUOROMETHYLTHIO)-PHENYL]-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12ClF3N4OS2
InChI InChI=1S/C14H12ClF3N4OS2/c1-7-10(11(15)22(2)21-7)12(23)20-13(24)19-8-3-5-9(6-4-8)25-14(16,17)18/h3-6H,1-2H3,(H2,19,20,23,24)
InChIKey UZGHQJYBFTURQV-UHFFFAOYSA-N
Literature Reference Author J.WU,Q.SHI,Z.CHEN,M.HE,L.JIN,D.HU
Literature Reference Citation MOLECULES,17,5139(2012)
Literature Reference DOI 10.3390/molecules17055139
Solvent CDCl3
Source File Reference UWIR1071