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Leflunomide

View entire compound with spectra: 2 FTIR, and 13 MS (GC)

Leflunomide
SpectraBase Compound ID 5tIFFhuAWgm
InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKey VHOGYURTWQBHIL-UHFFFAOYSA-N
Mol Weight 270.21 g/mol
Molecular Formula C12H9F3N2O2
Exact Mass 270.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83DM7Ccz199
Name 4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-
Alternate Name(s) 5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide 5-Methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide 5-Methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide
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Formula C12H9F3N2O2
InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKey VHOGYURTWQBHIL-UHFFFAOYSA-N
Molecular Weight 270.211 g/mol
SMILES N(c1ccc(cc1)C(F)(F)F)C(c1c(onc1)C)=O
SPLASH splash10-03di-5910000000-1cfa10837daa6014d2e0
Wiley ID 1508151