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2-Isonicotinamido-N-(2,6-dimethylphenyl)benzamide
SpectraBase Compound ID 21tvWv41tes
InChI InChI=1S/C21H19N3O2/c1-14-6-5-7-15(2)19(14)24-21(26)17-8-3-4-9-18(17)23-20(25)16-10-12-22-13-11-16/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKey CKYYVCAQJLZECH-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C21H19N3O2
Exact Mass 345.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6a5TLCdQcme
Name 2-Isonicotinamido-N-(2,6-dimethylphenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 345.147726862 u
Formula C21H19N3O2
InChI InChI=1S/C21H19N3O2/c1-14-6-5-7-15(2)19(14)24-21(26)17-8-3-4-9-18(17)23-20(25)16-10-12-22-13-11-16/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKey CKYYVCAQJLZECH-UHFFFAOYSA-N
Molecular Weight 345.402 g/mol
SMILES C1(=C(C=CC=C1)C(NC1=C(C=CC=C1C)C)=O)NC(=O)C1=CC=NC=C1