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N-(3-Phenylpropyl)pyridine-3-carboxamide, tfa derivative

View entire compound with spectra: 1 NMR

N-(3-Phenylpropyl)pyridine-3-carboxamide, tfa derivative
SpectraBase Compound ID JPdBOVygQaT
InChI InChI=1S/C17H15F3N2O2/c18-17(19,20)16(24)22(15(23)14-9-4-10-21-12-14)11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2
InChIKey JXKNQYXRAIPTNZ-UHFFFAOYSA-N
Mol Weight 336.31 g/mol
Molecular Formula C17H15F3N2O2
Exact Mass 336.108562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oLdZiyKpaz
Name N-(3-Phenylpropyl)pyridine-3-carboxamide, tfa derivative
Comments Computed using HOSE algorithm
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Exact Mass 336.108562218 u
Formula C17H15F3N2O2
InChI InChI=1S/C17H15F3N2O2/c18-17(19,20)16(24)22(15(23)14-9-4-10-21-12-14)11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2
InChIKey JXKNQYXRAIPTNZ-UHFFFAOYSA-N
Molecular Weight 336.314 g/mol
SMILES C(N(C(=O)C1=CN=CC=C1)C(C(F)(F)F)=O)CCC1=CC=CC=C1