![5-Bromo-N-[4-(diethylamino)phenyl]nicotinamide, N-methyl](/api/spectrum/Ks4SbrEDB85/structure.png?h=300&w=458 "5-Bromo-N-[4-(diethylamino)phenyl]nicotinamide, N-methyl")
| SpectraBase Compound ID | C3r3GCZObfU |
|---|---|
| InChI | InChI=1S/C17H20BrN3O/c1-4-21(5-2)16-8-6-15(7-9-16)20(3)17(22)13-10-14(18)12-19-11-13/h6-12H,4-5H2,1-3H3 |
| InChIKey | GRZNODWUSYFCCK-UHFFFAOYSA-N |
| Mol Weight | 362.27 g/mol |
| Molecular Formula | C17H20BrN3O |
| Exact Mass | 361.078975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ks4SbrEDB85 |
|---|---|
| Name | 5-Bromo-N-[4-(diethylamino)phenyl]nicotinamide, N-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.078975275 u |
| Formula | C17H20BrN3O |
| InChI | InChI=1S/C17H20BrN3O/c1-4-21(5-2)16-8-6-15(7-9-16)20(3)17(22)13-10-14(18)12-19-11-13/h6-12H,4-5H2,1-3H3 |
| InChIKey | GRZNODWUSYFCCK-UHFFFAOYSA-N |
| Molecular Weight | 362.271 g/mol |
| SMILES | C1(Br)=CN=CC(=C1)C(=O)N(C1=CC=C(C=C1)N(CC)CC)C |