| SpectraBase Compound ID | 5Yd1J61csRG |
|---|---|
| InChI | InChI=1S/C13H11N3O5/c14-13-11(16(19)20)6-10(15(17)18)7-12(13)21-8-9-4-2-1-3-5-9/h1-7H,8,14H2 |
| InChIKey | ZVLGOKVDKVLXAO-UHFFFAOYSA-N |
| Mol Weight | 289.25 g/mol |
| Molecular Formula | C13H11N3O5 |
| Exact Mass | 289.06987 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9JWEZ4zopL2 |
|---|---|
| Name | (2-Benzoxy-4,6-dinitro-phenyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.069870461 u |
| Formula | C13H11N3O5 |
| InChI | InChI=1S/C13H11N3O5/c14-13-11(16(19)20)6-10(15(17)18)7-12(13)21-8-9-4-2-1-3-5-9/h1-7H,8,14H2 |
| InChIKey | ZVLGOKVDKVLXAO-UHFFFAOYSA-N |
| SMILES | C=1(N)C(=CC(=CC1N(=O)=O)N(=O)=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80305 |