| SpectraBase Compound ID | BI2wmfQd8wQ |
|---|---|
| InChI | InChI=1S/C7H11ClN2O3/c1-7(8)4(11)9(2)6(13)10(3)5(7)12/h4,11H,1-3H3 |
| InChIKey | QNSKCQKTYHFPNN-UHFFFAOYSA-N |
| Mol Weight | 206.63 g/mol |
| Molecular Formula | C7H11ClN2O3 |
| Exact Mass | 206.04582 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Io833xLb1QH |
|---|---|
| Name | 5-Chloro-6-hydroxy-1,3-dimethyl-5,6-dihydrothymine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.045819919 u |
| Formula | C7H11ClN2O3 |
| InChI | InChI=1S/C7H11ClN2O3/c1-7(8)4(11)9(2)6(13)10(3)5(7)12/h4,11H,1-3H3 |
| InChIKey | QNSKCQKTYHFPNN-UHFFFAOYSA-N |
| SMILES | C1(C(C(N(C(N1C)=O)C)=O)(Cl)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88454 |