| SpectraBase Compound ID | IS9Hy246q5b |
|---|---|
| InChI | InChI=1S/C7H10N2OS/c1-3-9-5-4-6(11-2)8-7(9)10/h4-5H,3H2,1-2H3 |
| InChIKey | DQCMGENNADOTDC-UHFFFAOYSA-N |
| Mol Weight | 170.23 g/mol |
| Molecular Formula | C7H10N2OS |
| Exact Mass | 170.051384 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KtL40TWG1hl |
|---|---|
| Name | 1-Ethyl-4-(methylsulfanyl)-pyrimidin-2(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.051384123 u |
| Formula | C7H10N2OS |
| InChI | InChI=1S/C7H10N2OS/c1-3-9-5-4-6(11-2)8-7(9)10/h4-5H,3H2,1-2H3 |
| InChIKey | DQCMGENNADOTDC-UHFFFAOYSA-N |
| Molecular Weight | 170.230 g/mol |
| SMILES | C1(=O)N=C(SC)C=CN1CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941834 |