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1-[4-BROMO-2-(TRIFLUOROMETHYL)-PHENYL]-3-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA

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1-[4-BROMO-2-(TRIFLUOROMETHYL)-PHENYL]-3-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID KBiXxd7U37N
InChI InChI=1S/C19H13BrClF3N4OS/c1-10-15(16(21)28(27-10)12-5-3-2-4-6-12)17(29)26-18(30)25-14-8-7-11(20)9-13(14)19(22,23)24/h2-9H,1H3,(H2,25,26,29,30)
InChIKey RZJKHMQBQARWLW-UHFFFAOYSA-N
Mol Weight 517.75 g/mol
Molecular Formula C19H13BrClF3N4OS
Exact Mass 515.963407 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXCowqDdRhl
Name 1-[4-BROMO-2-(TRIFLUOROMETHYL)-PHENYL]-3-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H13BrClF3N4OS
InChI InChI=1S/C19H13BrClF3N4OS/c1-10-15(16(21)28(27-10)12-5-3-2-4-6-12)17(29)26-18(30)25-14-8-7-11(20)9-13(14)19(22,23)24/h2-9H,1H3,(H2,25,26,29,30)
InChIKey RZJKHMQBQARWLW-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 UWIR1072