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alpha-[2-oxo-5-(Trifluoromethyl)-1(2H)-pyridyl]-N-[(3-pyridyl)methyl]-p-toluamide
SpectraBase Compound ID P6m5Abd1lI
InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)17-7-8-18(27)26(13-17)12-14-3-5-16(6-4-14)19(28)25-11-15-2-1-9-24-10-15/h1-10,13H,11-12H2,(H,25,28)
InChIKey FWFHDNXCMQQZNX-UHFFFAOYSA-N
Mol Weight 387.36 g/mol
Molecular Formula C20H16F3N3O2
Exact Mass 387.119461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jfDOgr9SLR
Name alpha-[2-oxo-5-(Trifluoromethyl)-1(2H)-pyridyl]-N-[(3-pyridyl)methyl]-p-toluamide
Comments Computed using HOSE algorithm
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Exact Mass 387.119461254 u
Formula C20H16F3N3O2
InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)17-7-8-18(27)26(13-17)12-14-3-5-16(6-4-14)19(28)25-11-15-2-1-9-24-10-15/h1-10,13H,11-12H2,(H,25,28)
InChIKey FWFHDNXCMQQZNX-UHFFFAOYSA-N
Molecular Weight 387.362 g/mol
SMILES C(N1C(=O)C=CC(=C1)C(F)(F)F)C1=CC=C(C(=O)NCC2=CN=CC=C2)C=C1