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1H-Imidazole-4-carboxamide, 5-methyl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-
SpectraBase Compound ID 5c6cPGOlJEA
InChI InChI=1S/C13H11F4N3O2/c1-7-10(19-6-18-7)11(21)20-8-3-2-4-9(5-8)22-13(16,17)12(14)15/h2-6,12H,1H3,(H,18,19)(H,20,21)
InChIKey LPKFRFGRKHRUSI-UHFFFAOYSA-N
Mol Weight 317.24 g/mol
Molecular Formula C13H11F4N3O2
Exact Mass 317.078739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXBNjtSDA4k
Name 1H-Imidazole-4-carboxamide, 5-methyl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 317.078739256 u
Formula C13H11F4N3O2
InChI InChI=1S/C13H11F4N3O2/c1-7-10(19-6-18-7)11(21)20-8-3-2-4-9(5-8)22-13(16,17)12(14)15/h2-6,12H,1H3,(H,18,19)(H,20,21)
InChIKey LPKFRFGRKHRUSI-UHFFFAOYSA-N
Molecular Weight 317.244 g/mol
SMILES N1C=NC(=C1C(NC1=CC=CC(=C1)OC(C(F)F)(F)F)=O)C