| SpectraBase Compound ID | D68fKkFDSgh |
|---|---|
| InChI | InChI=1S/C12H9N3O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H,13H2 |
| InChIKey | CHDNKGAVLUPKJV-UHFFFAOYSA-N |
| Mol Weight | 275.22 g/mol |
| Molecular Formula | C12H9N3O5 |
| Exact Mass | 275.05422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ib9bj9ZAQrG |
|---|---|
| Name | o-(2,4-Dinitrophenoxy)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.054220397 u |
| Formula | C12H9N3O5 |
| InChI | InChI=1S/C12H9N3O5/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H,13H2 |
| InChIKey | CHDNKGAVLUPKJV-UHFFFAOYSA-N |
| Molecular Weight | 275.220 g/mol |
| SMILES | C1=C(OC2=CC=C(C=C2N(=O)=O)N(=O)=O)C(=CC=C1)N |