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1-(2-chloro-6-fluorobenzyl)-3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole

View entire compound with spectra: 2 NMR

1-(2-chloro-6-fluorobenzyl)-3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
SpectraBase Compound ID 6eLiIzxFMPm
InChI InChI=1S/C23H16ClF3N2/c1-14-22(15-5-9-17(25)10-6-15)28-29(13-19-20(24)3-2-4-21(19)27)23(14)16-7-11-18(26)12-8-16/h2-12H,13H2,1H3
InChIKey CBEXEQJBQFOGOX-UHFFFAOYSA-N
Mol Weight 412.84 g/mol
Molecular Formula C23H16ClF3N2
Exact Mass 412.095411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sAks6UXLUY
Name 1-(2-Chloro-6-fluorobenzyl)-3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.095410712 u
Formula C23H16ClF3N2
InChI InChI=1S/C23H16ClF3N2/c1-14-22(15-5-9-17(25)10-6-15)28-29(13-19-20(24)3-2-4-21(19)27)23(14)16-7-11-18(26)12-8-16/h2-12H,13H2,1H3
InChIKey CBEXEQJBQFOGOX-UHFFFAOYSA-N
Molecular Weight 412.843 g/mol
SMILES C=1C=CC(F)=C(C1Cl)CN1N=C(C=2C=CC(=CC2)F)C(=C1C1=CC=C(F)C=C1)C