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4-bromo-3,5-bis(4-fluorophenyl)-1-(3-methoxybenzyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-bromo-3,5-bis(4-fluorophenyl)-1-(3-methoxybenzyl)-1H-pyrazole
SpectraBase Compound ID 4hAlC8q3hTD
InChI InChI=1S/C23H17BrF2N2O/c1-29-20-4-2-3-15(13-20)14-28-23(17-7-11-19(26)12-8-17)21(24)22(27-28)16-5-9-18(25)10-6-16/h2-13H,14H2,1H3
InChIKey ARPBYGZNXQFYNN-UHFFFAOYSA-N
Mol Weight 455.3 g/mol
Molecular Formula C23H17BrF2N2O
Exact Mass 454.049233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqW8CsSnWyD
Name 4-Bromo-3,5-bis(4-fluorophenyl)-1-(3-methoxybenzyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.049232500 u
Formula C23H17BrF2N2O
InChI InChI=1S/C23H17BrF2N2O/c1-29-20-4-2-3-15(13-20)14-28-23(17-7-11-19(26)12-8-17)21(24)22(27-28)16-5-9-18(25)10-6-16/h2-13H,14H2,1H3
InChIKey ARPBYGZNXQFYNN-UHFFFAOYSA-N
Molecular Weight 455.303 g/mol
SMILES COC1=CC=CC(=C1)CN1C(=C(Br)C(=N1)C=1C=CC(=CC1)F)C1=CC=C(F)C=C1