| SpectraBase Compound ID | BzNKrzeS4BN |
|---|---|
| InChI | InChI=1S/C7H9N3O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,8H2,1H3 |
| InChIKey | MNIKERWISBANET-UHFFFAOYSA-N |
| Mol Weight | 167.17 g/mol |
| Molecular Formula | C7H9N3O2 |
| Exact Mass | 167.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL4De5DjUfO |
|---|---|
| Name | 2-Methylamino-5-nitroaniline (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.069476540 u |
| Formula | C7H9N3O2 |
| InChI | InChI=1S/C7H9N3O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,8H2,1H3 |
| InChIKey | MNIKERWISBANET-UHFFFAOYSA-N |
| Molecular Weight | 167.168 g/mol |
| SMILES | C1(N(=O)=O)=CC(=C(C=C1)NC)N |