| SpectraBase Compound ID | 2riSidghFIX |
|---|---|
| InChI | InChI=1S/C19H20OS/c1-13-3-7-15(8-4-13)18-11-17(20)12-19(21-18)16-9-5-14(2)6-10-16/h3-10,18-19H,11-12H2,1-2H3 |
| InChIKey | NMQIKCBARJZWSJ-UHFFFAOYSA-N |
| Mol Weight | 296.43 g/mol |
| Molecular Formula | C19H20OS |
| Exact Mass | 296.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UaSYLjlSj4 |
|---|---|
| Name | Tetrahydrothiopyran-4-one, 2,6-di(p-tolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.123486437 u |
| Formula | C19H20OS |
| InChI | InChI=1S/C19H20OS/c1-13-3-7-15(8-4-13)18-11-17(20)12-19(21-18)16-9-5-14(2)6-10-16/h3-10,18-19H,11-12H2,1-2H3 |
| InChIKey | NMQIKCBARJZWSJ-UHFFFAOYSA-N |
| SMILES | CC1=CC=C(C2SC(CC(=O)C2)C2=CC=C(C)C=C2)C=C1 |