| SpectraBase Compound ID | H0A5SqCSmy8 |
|---|---|
| InChI | InChI=1S/C8H9N3O5/c12-4-3-9-7-2-1-6(10(13)14)5-8(7)11(15)16/h1-2,5,9,12H,3-4H2 |
| InChIKey | OTKBBNLNJMLKDT-UHFFFAOYSA-N |
| Mol Weight | 227.18 g/mol |
| Molecular Formula | C8H9N3O5 |
| Exact Mass | 227.05422 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BapaOK1mho |
|---|---|
| Name | 2-(2,4-Dinitroanilino)ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.054220397 u |
| Formula | C8H9N3O5 |
| InChI | InChI=1S/C8H9N3O5/c12-4-3-9-7-2-1-6(10(13)14)5-8(7)11(15)16/h1-2,5,9,12H,3-4H2 |
| InChIKey | OTKBBNLNJMLKDT-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC=C(C(=C1)N(=O)=O)NCCO |
| Spectrum/Structure Validation Score (Raman) | 0.973044 |