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3-(4-Fluorophenyl)-5-phenyl-4-(pyrimidin-2-yl)isoxazole

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

3-(4-Fluorophenyl)-5-phenyl-4-(pyrimidin-2-yl)isoxazole
SpectraBase Compound ID Ezjz5X8OGwF
InChI InChI=1S/C19H16FN3O/c20-15-9-7-13(8-10-15)17-16(19-21-11-4-12-22-19)18(24-23-17)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H,21,22)
InChIKey WMSTVEYTPCPFIF-UHFFFAOYSA-N
Mol Weight 321.36 g/mol
Molecular Formula C19H16FN3O
Exact Mass 321.12774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtYsWXNtrNb
Name 3-(4-Fluorophenyl)-5-phenyl-4-(pyrimidin-2-yl)isoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.127740309 u
Formula C19H16FN3O
InChI InChI=1S/C19H16FN3O/c20-15-9-7-13(8-10-15)17-16(19-21-11-4-12-22-19)18(24-23-17)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H,21,22)
InChIKey WMSTVEYTPCPFIF-UHFFFAOYSA-N
Molecular Weight 321.355 g/mol
SMILES C1(=C(ON=C1C=1C=CC(=CC1)F)C1=CC=CC=C1)C1=NCCCN1