| SpectraBase Compound ID | DKCybUFdCOb |
|---|---|
| InChI | InChI=1S/C12H12N2OS/c1-9-7-11(15)14-12(13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15) |
| InChIKey | IJCWZWYJJJGSBT-UHFFFAOYSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C12H12N2OS |
| Exact Mass | 232.067034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGL7aHDnWV5 |
|---|---|
| Name | 2-(Benzylthio)-6-methyl-4(3H)-pyrimidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.067034187 u |
| Formula | C12H12N2OS |
| InChI | InChI=1S/C12H12N2OS/c1-9-7-11(15)14-12(13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15) |
| InChIKey | IJCWZWYJJJGSBT-UHFFFAOYSA-N |
| Molecular Weight | 232.301 g/mol |
| SMILES | N1C(C=C(N=C1SCC=1C=CC=CC1)C)=O |