| SpectraBase Compound ID | GqHXlPq5A3O |
|---|---|
| InChI | InChI=1S/C8H11N3O3/c9-7-5-6(10-3-4-12)1-2-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2 |
| InChIKey | BQMGIXCIUJBQPL-UHFFFAOYSA-N |
| Mol Weight | 197.19 g/mol |
| Molecular Formula | C8H11N3O3 |
| Exact Mass | 197.080041 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4kyBN8JeYsW |
|---|---|
| Name | Ethanol, 2-(3-amino-4-nitrophenylamino)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.080041223 u |
| Formula | C8H11N3O3 |
| InChI | InChI=1S/C8H11N3O3/c9-7-5-6(10-3-4-12)1-2-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2 |
| InChIKey | BQMGIXCIUJBQPL-UHFFFAOYSA-N |
| SMILES | C(O)CNC1=CC(=C(N(=O)=O)C=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952489 |