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2-(4-Chloro-phenoxy)-N-(2,6-dimethyl-phenyl)-nicotinamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-(4-Chloro-phenoxy)-N-(2,6-dimethyl-phenyl)-nicotinamide
SpectraBase Compound ID HJbtSeaX06I
InChI InChI=1S/C20H17ClN2O2/c1-13-5-3-6-14(2)18(13)23-19(24)17-7-4-12-22-20(17)25-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,23,24)
InChIKey HQGZMMAJHFUKHO-UHFFFAOYSA-N
Mol Weight 352.82 g/mol
Molecular Formula C20H17ClN2O2
Exact Mass 352.097855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ee6ZlqxLw3A
Name 2-(4-Chloro-phenoxy)-N-(2,6-dimethyl-phenyl)-nicotinamide
Comments Computed using HOSE algorithm
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Exact Mass 352.097855493 u
Formula C20H17ClN2O2
InChI InChI=1S/C20H17ClN2O2/c1-13-5-3-6-14(2)18(13)23-19(24)17-7-4-12-22-20(17)25-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,23,24)
InChIKey HQGZMMAJHFUKHO-UHFFFAOYSA-N
Molecular Weight 352.821 g/mol
SMILES C(C1=C(OC2=CC=C(C=C2)Cl)N=CC=C1)(NC1=C(C)C=CC=C1C)=O