| SpectraBase Compound ID | D4OBKZrNrNQ |
|---|---|
| InChI | InChI=1S/C12H9ClN2O/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9/h1-8H,(H,15,16) |
| InChIKey | XQPPPWLPXGVYAJ-UHFFFAOYSA-N |
| Mol Weight | 232.67 g/mol |
| Molecular Formula | C12H9ClN2O |
| Exact Mass | 232.040341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16Ldq0U7mHg |
|---|---|
| Name | Nicotinamide, N-(3-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.040340617 u |
| Formula | C12H9ClN2O |
| InChI | InChI=1S/C12H9ClN2O/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9/h1-8H,(H,15,16) |
| InChIKey | XQPPPWLPXGVYAJ-UHFFFAOYSA-N |
| Molecular Weight | 232.670 g/mol |
| SMILES | C1=CC=C(C=C1Cl)NC(C1=CN=CC=C1)=O |