| SpectraBase Compound ID | HeDHxgGrtFi |
|---|---|
| InChI | InChI=1S/C12H8F2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17) |
| InChIKey | RKFJWPATYWDQHB-UHFFFAOYSA-N |
| Mol Weight | 234.21 g/mol |
| Molecular Formula | C12H8F2N2O |
| Exact Mass | 234.060469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5D57rpTtuaJ |
|---|---|
| Name | N-(3,4-Difluorophenyl)isonicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.060469211 u |
| Formula | C12H8F2N2O |
| InChI | InChI=1S/C12H8F2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17) |
| InChIKey | RKFJWPATYWDQHB-UHFFFAOYSA-N |
| Molecular Weight | 234.206 g/mol |
| SMILES | N(C=1C=C(C(=CC1)F)F)C(=O)C=1C=CN=CC1 |