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N-{6-[(3-PYRIDYL)OXY]-3-PYRIDYL}-alpha,alpha,alpha-TRIFLUORO-p-TOLUAMIDE

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N-{6-[(3-PYRIDYL)OXY]-3-PYRIDYL}-alpha,alpha,alpha-TRIFLUORO-p-TOLUAMIDE
SpectraBase Compound ID 1xvCSswuHt
InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)13-5-3-12(4-6-13)17(25)24-14-7-8-16(23-10-14)26-15-2-1-9-22-11-15/h1-11H,(H,24,25)
InChIKey KHXKGSZCUMQYDV-UHFFFAOYSA-N
Mol Weight 359.31 g/mol
Molecular Formula C18H12F3N3O2
Exact Mass 359.088161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9XE9WcAEsb
Name N-{6-[(3-Pyridyl)oxy}-3-pyridyl}-alpha,alpha,alpha-trifluoro-p-toluamide
Comments Computed using HOSE algorithm
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Exact Mass 359.088161125 u
Formula C18H12F3N3O2
InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)13-5-3-12(4-6-13)17(25)24-14-7-8-16(23-10-14)26-15-2-1-9-22-11-15/h1-11H,(H,24,25)
InChIKey KHXKGSZCUMQYDV-UHFFFAOYSA-N
Molecular Weight 359.308 g/mol
SMILES N(C(C1=CC=C(C=C1)C(F)(F)F)=O)C=1C=CC(=NC1)OC=1C=NC=CC1