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1-(2-FLUOROPHENYL)-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA

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1-(2-FLUOROPHENYL)-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID FdeqZ137QLc
InChI InChI=1S/C13H12ClFN4OS/c1-7-10(11(14)19(2)18-7)12(20)17-13(21)16-9-6-4-3-5-8(9)15/h3-6H,1-2H3,(H2,16,17,20,21)
InChIKey ASVMWSMNLNJTGK-UHFFFAOYSA-N
Mol Weight 326.78 g/mol
Molecular Formula C13H12ClFN4OS
Exact Mass 326.040438 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMAPUQkBYkI
Name 1-(2-FLUOROPHENYL)-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12ClFN4OS
InChI InChI=1S/C13H12ClFN4OS/c1-7-10(11(14)19(2)18-7)12(20)17-13(21)16-9-6-4-3-5-8(9)15/h3-6H,1-2H3,(H2,16,17,20,21)
InChIKey ASVMWSMNLNJTGK-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 UWIR1065