| SpectraBase Compound ID | ZpiapkkQrh |
|---|---|
| InChI | InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10) |
| InChIKey | SGLXGFAZAARYJY-UHFFFAOYSA-N |
| Mol Weight | 160.56 g/mol |
| Molecular Formula | C5H5ClN2O2 |
| Exact Mass | 160.003955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5RthielK9kr |
|---|---|
| Name | 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.003955107 u |
| Formula | C5H5ClN2O2 |
| InChI | InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10) |
| InChIKey | SGLXGFAZAARYJY-UHFFFAOYSA-N |
| SMILES | CN1C(NC(=CC1=O)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977929 |