![3-Pyridinamine, N-[(3-nitrophenyl)methylene]-](/api/spectrum/4I0KsfHuofU/structure.png?h=300&w=458 "3-Pyridinamine, N-[(3-nitrophenyl)methylene]-")
| SpectraBase Compound ID | E1kf56t8q2s |
|---|---|
| InChI | InChI=1S/C12H9N3O2/c16-15(17)12-5-1-3-10(7-12)8-14-11-4-2-6-13-9-11/h1-9H/b14-8+ |
| InChIKey | WGHILNQBASRSIY-RIYZIHGNSA-N |
| Mol Weight | 227.22 g/mol |
| Molecular Formula | C12H9N3O2 |
| Exact Mass | 227.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4I0KsfHuofU |
|---|---|
| Name | 3-Pyridinamine, N-[(3-nitrophenyl)methylene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.069476540 u |
| Formula | C12H9N3O2 |
| InChI | InChI=1S/C12H9N3O2/c16-15(17)12-5-1-3-10(7-12)8-14-11-4-2-6-13-9-11/h1-9H/b14-8+ |
| InChIKey | WGHILNQBASRSIY-RIYZIHGNSA-N |
| Molecular Weight | 227.223 g/mol |
| SMILES | C1=NC=CC=C1\N=C\C1=CC(N(=O)=O)=CC=C1 |