| SpectraBase Compound ID | CMAkGhqz8ZP |
|---|---|
| InChI | InChI=1S/C25H22S/c1-25(17-20-11-5-2-6-12-20)18-23(21-13-7-3-8-14-21)26-24(19-25)22-15-9-4-10-16-22/h2-16,18-19H,17H2,1H3 |
| InChIKey | HMAZRJPZWALHBN-UHFFFAOYSA-N |
| Mol Weight | 354.51 g/mol |
| Molecular Formula | C25H22S |
| Exact Mass | 354.144222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQeOxyd5xSP |
|---|---|
| Name | 4-Benzyl-4-methyl-2,6-diphenyl-4H-thiopyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.144221882 u |
| Formula | C25H22S |
| InChI | InChI=1S/C25H22S/c1-25(17-20-11-5-2-6-12-20)18-23(21-13-7-3-8-14-21)26-24(19-25)22-15-9-4-10-16-22/h2-16,18-19H,17H2,1H3 |
| InChIKey | HMAZRJPZWALHBN-UHFFFAOYSA-N |
| Molecular Weight | 354.511 g/mol |
| SMILES | C1(=CC(C=C(S1)C=1C=CC=CC1)(C)CC=1C=CC=CC1)C=1C=CC=CC1 |