| SpectraBase Compound ID | 7zPuhMkgY9a |
|---|---|
| InChI | InChI=1S/C4H3ClN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10) |
| InChIKey | XDDWKERRJNWQIL-UHFFFAOYSA-N |
| Mol Weight | 162.53 g/mol |
| Molecular Formula | C4H3ClN2O3 |
| Exact Mass | 161.98322 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GQ0tQWCXOha |
|---|---|
| Name | 5-Chlorobarbituric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.983219662 u |
| Formula | C4H3ClN2O3 |
| InChI | InChI=1S/C4H3ClN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10) |
| InChIKey | XDDWKERRJNWQIL-UHFFFAOYSA-N |
| SMILES | N1C(C(C(NC1=O)=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.960184 |