| SpectraBase Compound ID | FQn9mbfDNL4 |
|---|---|
| InChI | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9) |
| InChIKey | GWEJPUMJAQFCBN-UHFFFAOYSA-N |
| Mol Weight | 128.09 g/mol |
| Molecular Formula | C4H4N2O3 |
| Exact Mass | 128.022192 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2nS1cgz2vmF |
|---|---|
| Name | Barbituric-acid;enol-form |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.022191994 u |
| Formula | C4H4N2O3 |
| InChI | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9) |
| InChIKey | GWEJPUMJAQFCBN-UHFFFAOYSA-N |
| SMILES | C1(NC(=CC(N1)=O)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.988915 |