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5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide
SpectraBase Compound ID HwY3Na4LTkr
InChI InChI=1S/C18H13F3N2O2/c1-11-15(16(23-25-11)12-7-3-2-4-8-12)17(24)22-14-10-6-5-9-13(14)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKey XDTDFIYMYJKYJN-UHFFFAOYSA-N
Mol Weight 346.31 g/mol
Molecular Formula C18H13F3N2O2
Exact Mass 346.092912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UDR6aXJ9ee
Name 5-Methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 346.092912154 u
Formula C18H13F3N2O2
InChI InChI=1S/C18H13F3N2O2/c1-11-15(16(23-25-11)12-7-3-2-4-8-12)17(24)22-14-10-6-5-9-13(14)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKey XDTDFIYMYJKYJN-UHFFFAOYSA-N
Molecular Weight 346.309 g/mol
SMILES N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)C=1C(C(F)(F)F)=CC=CC1