![4-[(p-methylphenacyl)thio]-2(1H)-pyrimidinone](/api/spectrum/9i5ycJJzfSP/structure.png?h=300&w=458 "4-[(p-methylphenacyl)thio]-2(1H)-pyrimidinone")
| SpectraBase Compound ID | B6CaPaHd2m0 |
|---|---|
| InChI | InChI=1S/C13H12N2O2S/c1-9-2-4-10(5-3-9)11(16)8-18-12-6-7-14-13(17)15-12/h2-7H,8H2,1H3,(H,14,15,17) |
| InChIKey | NEABLDXXXJIKEE-UHFFFAOYSA-N |
| Mol Weight | 260.31 g/mol |
| Molecular Formula | C13H12N2O2S |
| Exact Mass | 260.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9i5ycJJzfSP |
|---|---|
| Name | 4-[(p-Methylphenacyl)thio]-2(1H)-pyrimidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.061948806 u |
| Formula | C13H12N2O2S |
| InChI | InChI=1S/C13H12N2O2S/c1-9-2-4-10(5-3-9)11(16)8-18-12-6-7-14-13(17)15-12/h2-7H,8H2,1H3,(H,14,15,17) |
| InChIKey | NEABLDXXXJIKEE-UHFFFAOYSA-N |
| SMILES | N1C=CC(=NC1=O)SCC(C1=CC=C(C=C1)C)=O |