| SpectraBase Compound ID | FiaaI7hQlKy |
|---|---|
| InChI | InChI=1S/C16H20N2O2S/c1-12-8-13(2)18-16(17-12)21-11-15(19)10-20-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3 |
| InChIKey | YMVYDDKAGHZYLM-UHFFFAOYSA-N |
| Mol Weight | 304.41 g/mol |
| Molecular Formula | C16H20N2O2S |
| Exact Mass | 304.124549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Cl4OoCBOFL |
|---|---|
| Name | Propan-2-ol, 1-benzyloxy-3-(4,6-dimethyl-2-pyrimidylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.124549064 u |
| Formula | C16H20N2O2S |
| InChI | InChI=1S/C16H20N2O2S/c1-12-8-13(2)18-16(17-12)21-11-15(19)10-20-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3 |
| InChIKey | YMVYDDKAGHZYLM-UHFFFAOYSA-N |
| Molecular Weight | 304.408 g/mol |
| SMILES | C1(=NC(C)=CC(=N1)C)SCC(O)COCC1=CC=CC=C1 |