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N-(4-bromo-2-fluorophenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(4-bromo-2-fluorophenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
SpectraBase Compound ID 199FdudCJGw
InChI InChI=1S/C17H12BrFN2O2/c1-10-15(16(21-23-10)11-5-3-2-4-6-11)17(22)20-14-8-7-12(18)9-13(14)19/h2-9H,1H3,(H,20,22)
InChIKey PVHURKGHNCSXQM-UHFFFAOYSA-N
Mol Weight 375.2 g/mol
Molecular Formula C17H12BrFN2O2
Exact Mass 374.006619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ux7n2vFXrN
Name N-(4-Bromo-2-fluorophenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 374.006618795 u
Formula C17H12BrFN2O2
InChI InChI=1S/C17H12BrFN2O2/c1-10-15(16(21-23-10)11-5-3-2-4-6-11)17(22)20-14-8-7-12(18)9-13(14)19/h2-9H,1H3,(H,20,22)
InChIKey PVHURKGHNCSXQM-UHFFFAOYSA-N
Molecular Weight 375.197 g/mol
SMILES N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)C=1C(=CC(=CC1)Br)F