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4-chloro-1,3,5-tris(4-fluorophenyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-chloro-1,3,5-tris(4-fluorophenyl)-1H-pyrazole
SpectraBase Compound ID BohWeX3hLmX
InChI InChI=1S/C21H12ClF3N2/c22-19-20(13-1-5-15(23)6-2-13)26-27(18-11-9-17(25)10-12-18)21(19)14-3-7-16(24)8-4-14/h1-12H
InChIKey YQILWZWCTJXZGS-UHFFFAOYSA-N
Mol Weight 384.79 g/mol
Molecular Formula C21H12ClF3N2
Exact Mass 384.064111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BINSJbyZzBH
Name 4-Chloro-1,3,5-tris(4-fluorophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 384.064110583 u
Formula C21H12ClF3N2
InChI InChI=1S/C21H12ClF3N2/c22-19-20(13-1-5-15(23)6-2-13)26-27(18-11-9-17(25)10-12-18)21(19)14-3-7-16(24)8-4-14/h1-12H
InChIKey YQILWZWCTJXZGS-UHFFFAOYSA-N
Molecular Weight 384.789 g/mol
SMILES C=1C=C(C=CC1F)N1C(=C(Cl)C(=N1)C=1C=CC(=CC1)F)C1=CC=C(F)C=C1