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1-[2-FLUORO-5-(TRIFLUOROMETHYL)-PHENYL]-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID BgW4r6bKLLx
InChI InChI=1S/C14H11ClF4N4OS/c1-6-10(11(15)23(2)22-6)12(24)21-13(25)20-9-5-7(14(17,18)19)3-4-8(9)16/h3-5H,1-2H3,(H2,20,21,24,25)
InChIKey HGOYVVQOWWULDE-UHFFFAOYSA-N
Mol Weight 394.78 g/mol
Molecular Formula C14H11ClF4N4OS
Exact Mass 394.027823 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hzt4DYqD2vc
Name 1-[2-FLUORO-5-(TRIFLUOROMETHYL)-PHENYL]-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11ClF4N4OS
InChI InChI=1S/C14H11ClF4N4OS/c1-6-10(11(15)23(2)22-6)12(24)21-13(25)20-9-5-7(14(17,18)19)3-4-8(9)16/h3-5H,1-2H3,(H2,20,21,24,25)
InChIKey HGOYVVQOWWULDE-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 UWIR1066