| SpectraBase Compound ID | 6d7tftRfEl9 |
|---|---|
| InChI | InChI=1S/C12H9N3O3/c16-12(9-3-2-6-13-8-9)14-10-4-1-5-11(7-10)15(17)18/h1-8H,(H,14,16) |
| InChIKey | NHQVTLVXDDSCLW-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 | KJ5reeXlh7j |
|---|---|
| Name | Pyridine-3-carboxamide, N-(3-nitrophenyl)- |
| 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(9-3-2-6-13-8-9)14-10-4-1-5-11(7-10)15(17)18/h1-8H,(H,14,16) |
| InChIKey | NHQVTLVXDDSCLW-UHFFFAOYSA-N |
| Molecular Weight | 243.222 g/mol |
| SMILES | C1=CN=CC(C(NC2=CC=CC(N(=O)=O)=C2)=O)=C1 |