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

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1-(2-FLUOROBENZYL)-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
SpectraBase Compound ID H9Hc1uBfbFc
InChI InChI=1S/C14H14ClFN4OS/c1-8-11(12(15)20(2)19-8)13(21)18-14(22)17-7-9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H2,17,18,21,22)
InChIKey KYPBWVKFCPXVOA-UHFFFAOYSA-N
Mol Weight 340.8 g/mol
Molecular Formula C14H14ClFN4OS
Exact Mass 340.056088 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mJYgYsrUV1
Name 1-(2-FLUOROBENZYL)-3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONYL)-THIOUREA
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14ClFN4OS
InChI InChI=1S/C14H14ClFN4OS/c1-8-11(12(15)20(2)19-8)13(21)18-14(22)17-7-9-5-3-4-6-10(9)16/h3-6H,7H2,1-2H3,(H2,17,18,21,22)
InChIKey KYPBWVKFCPXVOA-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 UWIR1064