| SpectraBase Compound ID | 7PdSmComBNE |
|---|---|
| InChI | InChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10) |
| InChIKey | YQLSDDPJHQTGEW-UHFFFAOYSA-N |
| Mol Weight | 157.09 g/mol |
| Molecular Formula | C4H3N3O4 |
| Exact Mass | 157.012356 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9lmPBSFomAo |
|---|---|
| Name | 5-Nitrosobarbituric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.012355585 u |
| Formula | C4H3N3O4 |
| InChI | InChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10) |
| InChIKey | YQLSDDPJHQTGEW-UHFFFAOYSA-N |
| SMILES | N1C(C(C(NC1=O)=O)N=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972315 |