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5-methyl-N-(2-pyridinyl)-4-{[3-(trifluoromethyl)phenoxy]methyl}-3-isoxazolecarboxamide
SpectraBase Compound ID 2lvHW7rfceb
InChI InChI=1S/C18H14F3N3O3/c1-11-14(10-26-13-6-4-5-12(9-13)18(19,20)21)16(24-27-11)17(25)23-15-7-2-3-8-22-15/h2-9H,10H2,1H3,(H,22,23,25)
InChIKey FLDLGDXAQSQIOI-UHFFFAOYSA-N
Mol Weight 377.32 g/mol
Molecular Formula C18H14F3N3O3
Exact Mass 377.098726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8KfrprMxOH
Name 5-Methyl-N-(2-pyridinyl)-4-{[3-(trifluoromethyl)phenoxy]methyl}-3-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 377.098725809 u
Formula C18H14F3N3O3
InChI InChI=1S/C18H14F3N3O3/c1-11-14(10-26-13-6-4-5-12(9-13)18(19,20)21)16(24-27-11)17(25)23-15-7-2-3-8-22-15/h2-9H,10H2,1H3,(H,22,23,25)
InChIKey FLDLGDXAQSQIOI-UHFFFAOYSA-N
Molecular Weight 377.323 g/mol
SMILES N(C(C=1C(=C(C)ON1)COC1=CC(C(F)(F)F)=CC=C1)=O)C=1N=CC=CC1