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3,4,5-Tris(4-fluorophenyl)-1-methyl-1H-pyrazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3,4,5-Tris(4-fluorophenyl)-1-methyl-1H-pyrazole
SpectraBase Compound ID BeKMkHuU2dE
InChI InChI=1S/C22H15F3N2/c1-27-22(16-6-12-19(25)13-7-16)20(14-2-8-17(23)9-3-14)21(26-27)15-4-10-18(24)11-5-15/h2-13H,1H3
InChIKey ZEVWZCASNMICNV-UHFFFAOYSA-N
Mol Weight 364.37 g/mol
Molecular Formula C22H15F3N2
Exact Mass 364.118733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwfPRpsx4Jm
Name 3,4,5-Tris(4-fluorophenyl)-1-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.118732980 u
Formula C22H15F3N2
InChI InChI=1S/C22H15F3N2/c1-27-22(16-6-12-19(25)13-7-16)20(14-2-8-17(23)9-3-14)21(26-27)15-4-10-18(24)11-5-15/h2-13H,1H3
InChIKey ZEVWZCASNMICNV-UHFFFAOYSA-N
Molecular Weight 364.371 g/mol
SMILES C=1(C(=NN(C1C1=CC=C(C=C1)F)C)C1=CC=C(F)C=C1)C1=CC=C(C=C1)F