| SpectraBase Compound ID | JIJcohavWPh |
|---|---|
| InChI | InChI=1S/C13H11ClN2O/c1-9-4-6-10(7-5-9)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17) |
| InChIKey | BXPIHAODNJLFFB-UHFFFAOYSA-N |
| Mol Weight | 246.7 g/mol |
| Molecular Formula | C13H11ClN2O |
| Exact Mass | 246.055991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dZHzR8o0LA |
|---|---|
| Name | 2-Chloro-N-(4-methylphenyl)nicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.055990681 u |
| Formula | C13H11ClN2O |
| InChI | InChI=1S/C13H11ClN2O/c1-9-4-6-10(7-5-9)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17) |
| InChIKey | BXPIHAODNJLFFB-UHFFFAOYSA-N |
| Molecular Weight | 246.697 g/mol |
| SMILES | C1(Cl)=NC=CC=C1C(=O)NC1=CC=C(C=C1)C |