| SpectraBase Compound ID | 9p76cMY34ci |
|---|---|
| InChI | InChI=1S/C18H20OS/c1-13-11-14(2)18(15(3)12-13)20-10-9-17(19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3 |
| InChIKey | VKUPIQDPPMXYDJ-UHFFFAOYSA-N |
| Mol Weight | 284.42 g/mol |
| Molecular Formula | C18H20OS |
| Exact Mass | 284.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | daG8MQ70wq |
|---|---|
| Name | 1-Phenyl-3-[(2,4,6-trimethylphenyl)sulfanyl]propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.123486437 u |
| Formula | C18H20OS |
| InChI | InChI=1S/C18H20OS/c1-13-11-14(2)18(15(3)12-13)20-10-9-17(19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3 |
| InChIKey | VKUPIQDPPMXYDJ-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1C)C)C)SCCC(=O)C1=CC=CC=C1 |