| SpectraBase Compound ID | lALxLOmD0Z |
|---|---|
| InChI | InChI=1S/C15H16N2O/c1-10-7-11(2)14(12(3)8-10)17-15(18)13-5-4-6-16-9-13/h4-9H,1-3H3,(H,17,18) |
| InChIKey | KUFMVQNTVFYBGQ-UHFFFAOYSA-N |
| Mol Weight | 240.31 g/mol |
| Molecular Formula | C15H16N2O |
| Exact Mass | 240.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LA5oUDW6ZY2 |
|---|---|
| Name | Nicotinamide, N-mesityl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.126263142 u |
| Formula | C15H16N2O |
| InChI | InChI=1S/C15H16N2O/c1-10-7-11(2)14(12(3)8-10)17-15(18)13-5-4-6-16-9-13/h4-9H,1-3H3,(H,17,18) |
| InChIKey | KUFMVQNTVFYBGQ-UHFFFAOYSA-N |
| Molecular Weight | 240.306 g/mol |
| SMILES | C1=CN=CC(C(NC2=C(C=C(C=C2C)C)C)=O)=C1 |