| SpectraBase Compound ID | 6oNT6I1aOas |
|---|---|
| InChI | InChI=1S/C5H4N2O3S/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) |
| InChIKey | ISOQUWRYYNKKGX-UHFFFAOYSA-N |
| Mol Weight | 172.16 g/mol |
| Molecular Formula | C5H4N2O3S |
| Exact Mass | 171.994263 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FqqDhZtH1V6 |
|---|---|
| Name | 6-Hydroxy-2-mercapto-4-pyrimidinecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.994263168 u |
| Formula | C5H4N2O3S |
| InChI | InChI=1S/C5H4N2O3S/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) |
| InChIKey | ISOQUWRYYNKKGX-UHFFFAOYSA-N |
| SMILES | N1C(C(O)=O)=CC(NC1=S)=O |
| Spectrum/Structure Validation Score (Raman) | 0.939928 |