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1-{[3-(p-CHLOROPHENYL)-1-METHYL-5-(METHYLTHIO)PYRAZOL-4-YL]CARBONYL}-3-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)UREA

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1-{[3-(p-CHLOROPHENYL)-1-METHYL-5-(METHYLTHIO)PYRAZOL-4-YL]CARBONYL}-3-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)UREA
SpectraBase Compound ID 58H6V4nQdd8
InChI InChI=1S/C21H15ClF6N4O2S/c1-32-18(35-2)15(16(31-32)10-3-5-13(22)6-4-10)17(33)30-19(34)29-14-8-11(20(23,24)25)7-12(9-14)21(26,27)28/h3-9H,1-2H3,(H2,29,30,33,34)
InChIKey FRVVSNQFQQOSEO-UHFFFAOYSA-N
Mol Weight 536.88 g/mol
Molecular Formula C21H15ClF6N4O2S
Exact Mass 536.050844 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJKT1N4WkRx
Name 1-{[3-(p-chlorophenyl)-1-methyl-5-(methylthio)pyrazol-4-yl]carbonyl}-3-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)urea
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClF6N4O2S
InChI InChI=1S/C21H15ClF6N4O2S/c1-32-18(35-2)15(16(31-32)10-3-5-13(22)6-4-10)17(33)30-19(34)29-14-8-11(20(23,24)25)7-12(9-14)21(26,27)28/h3-9H,1-2H3,(H2,29,30,33,34)
InChIKey FRVVSNQFQQOSEO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 58481M
Solvent CDCl3