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1-(2-FLUOROBENZYL)-3-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID 4CtzJIxDbNW
InChI InChI=1S/C19H16ClFN4OS/c1-12-16(17(20)25(24-12)14-8-3-2-4-9-14)18(26)23-19(27)22-11-13-7-5-6-10-15(13)21/h2-10H,11H2,1H3,(H2,22,23,26,27)
InChIKey QMLOOYUZVRXHTB-UHFFFAOYSA-N
Mol Weight 402.88 g/mol
Molecular Formula C19H16ClFN4OS
Exact Mass 402.071738 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1t3BR9nqIDj
Name 1-(2-FLUOROBENZYL)-3-(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16ClFN4OS
InChI InChI=1S/C19H16ClFN4OS/c1-12-16(17(20)25(24-12)14-8-3-2-4-9-14)18(26)23-19(27)22-11-13-7-5-6-10-15(13)21/h2-10H,11H2,1H3,(H2,22,23,26,27)
InChIKey QMLOOYUZVRXHTB-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 UWIR1073