| SpectraBase Compound ID | HoB0Xrgz506 |
|---|---|
| InChI | InChI=1S/C13H11ClN2O/c1-9-11(14)3-2-4-12(9)16-13(17)10-5-7-15-8-6-10/h2-8H,1H3,(H,16,17) |
| InChIKey | YGHJSNJVLDXZRV-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 | ISAQBBYOpy3 |
|---|---|
| Name | N-(3-Chloro-2-methylphenyl)isonicotinamide |
| 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/c1-9-11(14)3-2-4-12(9)16-13(17)10-5-7-15-8-6-10/h2-8H,1H3,(H,16,17) |
| InChIKey | YGHJSNJVLDXZRV-UHFFFAOYSA-N |
| Molecular Weight | 246.697 g/mol |
| SMILES | N(C(=O)C=1C=CN=CC1)C=1C(=C(Cl)C=CC1)C |