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1-(2-BROMO-5-FLUOROPHENYL)-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID Cp5WgWzGM5C
InChI InChI=1S/C13H11BrClFN4OS/c1-6-10(11(15)20(2)19-6)12(21)18-13(22)17-9-5-7(16)3-4-8(9)14/h3-5H,1-2H3,(H2,17,18,21,22)
InChIKey SOOKHIBLUUHYGC-UHFFFAOYSA-N
Mol Weight 405.67 g/mol
Molecular Formula C13H11BrClFN4OS
Exact Mass 403.950951 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jd66jHvofCk
Name 1-(2-BROMO-5-FLUOROPHENYL)-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11BrClFN4OS
InChI InChI=1S/C13H11BrClFN4OS/c1-6-10(11(15)20(2)19-6)12(21)18-13(22)17-9-5-7(16)3-4-8(9)14/h3-5H,1-2H3,(H2,17,18,21,22)
InChIKey SOOKHIBLUUHYGC-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 UWIR1062