| SpectraBase Compound ID | 9xYsP6aBb5U |
|---|---|
| InChI | InChI=1S/C14H14N2O2S/c1-10-8-11(2)16-13(15-10)19-14(17)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3 |
| InChIKey | DGAUFTRWMCEXLW-UHFFFAOYSA-N |
| Mol Weight | 274.34 g/mol |
| Molecular Formula | C14H14N2O2S |
| Exact Mass | 274.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OPd0mxDOoO |
|---|---|
| Name | Benzyl S-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.077598871 u |
| Formula | C14H14N2O2S |
| InChI | InChI=1S/C14H14N2O2S/c1-10-8-11(2)16-13(15-10)19-14(17)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3 |
| InChIKey | DGAUFTRWMCEXLW-UHFFFAOYSA-N |
| SMILES | C1(=NC(=CC(=N1)C)C)SC(=O)OCC1=CC=CC=C1 |