| SpectraBase Compound ID | IAlEpcsmIw2 |
|---|---|
| InChI | InChI=1S/C12H9N3O4/c16-11-6-9(15(18)19)3-4-10(11)14-12(17)8-2-1-5-13-7-8/h1-7,16H,(H,14,17) |
| InChIKey | RGAAJYPEKLQQLV-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C12H9N3O4 |
| Exact Mass | 259.059306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXAaAynOvbx |
|---|---|
| Name | 2'-Hydroxy-4'-nitronicotinanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.059305778 u |
| Formula | C12H9N3O4 |
| InChI | InChI=1S/C12H9N3O4/c16-11-6-9(15(18)19)3-4-10(11)14-12(17)8-2-1-5-13-7-8/h1-7,16H,(H,14,17) |
| InChIKey | RGAAJYPEKLQQLV-UHFFFAOYSA-N |
| Molecular Weight | 259.221 g/mol |
| SMILES | N(C(C=1C=CC=NC1)=O)C=1C(=CC(=CC1)N(=O)=O)O |