| SpectraBase Compound ID | KEtAab3pmZH |
|---|---|
| InChI | InChI=1S/C5H3N3O5/c9-5-3(7(10)11)1-6-2-4(5)8(12)13/h1-2H,(H,6,9) |
| InChIKey | PUHTYORYOUQZEB-UHFFFAOYSA-N |
| Mol Weight | 185.09 g/mol |
| Molecular Formula | C5H3N3O5 |
| Exact Mass | 185.00727 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4g5G07gGlJA |
|---|---|
| Name | 3,5-Dinitro-4(1H)-pyridone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.007270204 u |
| Formula | C5H3N3O5 |
| InChI | InChI=1S/C5H3N3O5/c9-5-3(7(10)11)1-6-2-4(5)8(12)13/h1-2H,(H,6,9) |
| InChIKey | PUHTYORYOUQZEB-UHFFFAOYSA-N |
| SMILES | N1C=C(C(C(=C1)N(=O)=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.942513 |