| SpectraBase Compound ID | KIvtHSIeYLb |
|---|---|
| InChI | InChI=1S/C6H8N2OS/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 |
| InChIKey | KKGQZFFYBBQLKI-UHFFFAOYSA-N |
| Mol Weight | 156.2 g/mol |
| Molecular Formula | C6H8N2OS |
| Exact Mass | 156.035734 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JpRetffMfei |
|---|---|
| Name | 1,3-Dimethyl-2-sulfanylidene-4-pyrimidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.035734059 u |
| Formula | C6H8N2OS |
| InChI | InChI=1S/C6H8N2OS/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 |
| InChIKey | KKGQZFFYBBQLKI-UHFFFAOYSA-N |
| SMILES | C1(N(C(C=CN1C)=O)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906243 |