![2-Propen-1-one, 3-[(1,1-dimethylethyl)thio]-1-phenyl-](/api/spectrum/E1HZn14PqFh/structure.png?h=300&w=458 "2-Propen-1-one, 3-[(1,1-dimethylethyl)thio]-1-phenyl-")
| SpectraBase Compound ID | 5uFIgPUyX1X |
|---|---|
| InChI | InChI=1S/C13H16OS/c1-13(2,3)15-10-9-12(14)11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+ |
| InChIKey | LNUNUDOFRVMGDN-MDZDMXLPSA-N |
| Mol Weight | 220.33 g/mol |
| Molecular Formula | C13H16OS |
| Exact Mass | 220.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1HZn14PqFh |
|---|---|
| Name | 2-Propen-1-one, 3-[(1,1-dimethylethyl)thio]-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.092186308 u |
| Formula | C13H16OS |
| InChI | InChI=1S/C13H16OS/c1-13(2,3)15-10-9-12(14)11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+ |
| InChIKey | LNUNUDOFRVMGDN-MDZDMXLPSA-N |
| Molecular Weight | 220.330 g/mol |
| SMILES | C(\C=C\SC(C)(C)C)(=O)C=1C=CC=CC1 |