| SpectraBase Compound ID | 98v5qI6jKmV |
|---|---|
| InChI | InChI=1S/C12H9N3O3/c16-12(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16) |
| InChIKey | OVXOOHFWTAEGEE-UHFFFAOYSA-N |
| Mol Weight | 243.22 g/mol |
| Molecular Formula | C12H9N3O3 |
| Exact Mass | 243.064391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2sHQDgj9Hsp |
|---|---|
| Name | 2-Nitro-N-(4-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(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16) |
| InChIKey | OVXOOHFWTAEGEE-UHFFFAOYSA-N |
| Molecular Weight | 243.222 g/mol |
| SMILES | C=1(C(=CC=CC1)N(=O)=O)C(NC1=CC=NC=C1)=O |