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(4E)-2-(4-bromophenyl)-4-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1,3-oxazol-5(4H)-one

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(4E)-2-(4-bromophenyl)-4-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1,3-oxazol-5(4H)-one
SpectraBase Compound ID 4oJ0O28qfyO
InChI InChI=1S/C25H15BrFN3O2/c26-19-10-6-17(7-11-19)24-28-22(25(31)32-24)14-18-15-30(21-4-2-1-3-5-21)29-23(18)16-8-12-20(27)13-9-16/h1-15H/b22-14+
InChIKey VMVYSWYMOJFLFS-HYARGMPZSA-N
Mol Weight 488.32 g/mol
Molecular Formula C25H15BrFN3O2
Exact Mass 487.033168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MFX5rXtdtj
Name (4E)-2-(4-Bromophenyl)-4-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1,3-oxazol-5(4H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.033167896 u
Formula C25H15BrFN3O2
InChI InChI=1S/C25H15BrFN3O2/c26-19-10-6-17(7-11-19)24-28-22(25(31)32-24)14-18-15-30(21-4-2-1-3-5-21)29-23(18)16-8-12-20(27)13-9-16/h1-15H/b22-14+
InChIKey VMVYSWYMOJFLFS-HYARGMPZSA-N
Molecular Weight 488.316 g/mol
SMILES C=1C=CC(N2N=C(C(\C=C/3N=C(C4=CC=C(C=C4)Br)OC3=O)=C2)C=2C=CC(F)=CC2)=CC1