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1-[4-(TRIFLUOROMETHYLTHIO)-PHENYL]-3-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID IWL9yxGfhBi
InChI InChI=1S/C19H14ClF3N4OS2/c1-11-15(16(20)27(26-11)13-5-3-2-4-6-13)17(28)25-18(29)24-12-7-9-14(10-8-12)30-19(21,22)23/h2-10H,1H3,(H2,24,25,28,29)
InChIKey RYPZUHBGNMJCPY-UHFFFAOYSA-N
Mol Weight 470.92 g/mol
Molecular Formula C19H14ClF3N4OS2
Exact Mass 470.024966 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFF1UuIr8vt
Name 1-[4-(TRIFLUOROMETHYLTHIO)-PHENYL]-3-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14ClF3N4OS2
InChI InChI=1S/C19H14ClF3N4OS2/c1-11-15(16(20)27(26-11)13-5-3-2-4-6-13)17(28)25-18(29)24-12-7-9-14(10-8-12)30-19(21,22)23/h2-10H,1H3,(H2,24,25,28,29)
InChIKey RYPZUHBGNMJCPY-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 UWIR1076