| SpectraBase Compound ID | 9xsFjV5fnQ8 |
|---|---|
| InChI | InChI=1S/C12H9N3O3/c16-12(14-11-6-1-2-7-13-11)9-4-3-5-10(8-9)15(17)18/h1-8H,(H,13,14,16) |
| InChIKey | YSNFSBABFQPALZ-UHFFFAOYSA-N |
| Mol Weight | 243.22 g/mol |
| Molecular Formula | C12H9N3O3 |
| Exact Mass | 243.064391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXjZsK5mvGq |
|---|---|
| Name | 3-Nitro-N-(2-pyridinyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.064391159 u |
| Formula | C12H9N3O3 |
| InChI | InChI=1S/C12H9N3O3/c16-12(14-11-6-1-2-7-13-11)9-4-3-5-10(8-9)15(17)18/h1-8H,(H,13,14,16) |
| InChIKey | YSNFSBABFQPALZ-UHFFFAOYSA-N |
| Molecular Weight | 243.222 g/mol |
| SMILES | C1(N(=O)=O)=CC(=CC=C1)C(=O)NC1=NC=CC=C1 |