| SpectraBase Compound ID | 6E9gvEbA5dn |
|---|---|
| InChI | InChI=1S/C7H8N2O2S/c1-5(10)4-12-7-8-3-2-6(11)9-7/h2-3H,4H2,1H3,(H,8,9,11) |
| InChIKey | RMXCAFQUMVZKDD-UHFFFAOYSA-N |
| Mol Weight | 184.21 g/mol |
| Molecular Formula | C7H8N2O2S |
| Exact Mass | 184.030649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IexLiiMSU3X |
|---|---|
| Name | 4-Pyrimidinol, 2-acetonylthio- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.030648678 u |
| Formula | C7H8N2O2S |
| InChI | InChI=1S/C7H8N2O2S/c1-5(10)4-12-7-8-3-2-6(11)9-7/h2-3H,4H2,1H3,(H,8,9,11) |
| InChIKey | RMXCAFQUMVZKDD-UHFFFAOYSA-N |
| SMILES | C1(=NC(=CC=N1)O)SCC(C)=O |