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1-(p-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea

View entire compound with spectra: 3 NMR, and 1 FTIR

1-(p-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
SpectraBase Compound ID AvgE2gaqHCt
InChI InChI=1S/C12H10F4N4O/c1-20-6-9(10(19-20)12(14,15)16)18-11(21)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,17,18,21)
InChIKey KQWKPWQOGACZGC-UHFFFAOYSA-N
Mol Weight 302.23 g/mol
Molecular Formula C12H10F4N4O
Exact Mass 302.079074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQ6ZhfV5Ycq
Name 1-(p-FLUOROPHENYL)-3-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL]UREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F4N4O
InChI InChI=1S/C12H10F4N4O/c1-20-6-9(10(19-20)12(14,15)16)18-11(21)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,17,18,21)
InChIKey KQWKPWQOGACZGC-UHFFFAOYSA-N
Melting Point 217-218C
Molecular Weight 302.23
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms UREA, 1-(p-FLUOROPHENYL)-3-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL]-,