| SpectraBase Compound ID | C1bfRNsLaEe |
|---|---|
| InChI | InChI=1S/C7H10N2O2S/c1-9-4-5(11-2)6(10)8-7(9)12-3/h4H,1-3H3 |
| InChIKey | GKHSGNHTAVGSAO-UHFFFAOYSA-N |
| Mol Weight | 186.23 g/mol |
| Molecular Formula | C7H10N2O2S |
| Exact Mass | 186.046299 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KCUjWXQVcVr |
|---|---|
| Name | 4(1H)-Pyrimidinone, 5-methoxy-1-methyl-2-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.046298742 u |
| Formula | C7H10N2O2S |
| InChI | InChI=1S/C7H10N2O2S/c1-9-4-5(11-2)6(10)8-7(9)12-3/h4H,1-3H3 |
| InChIKey | GKHSGNHTAVGSAO-UHFFFAOYSA-N |
| Molecular Weight | 186.229 g/mol |
| SMILES | COC=1C(N=C(N(C1)C)SC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828608 |