| SpectraBase Compound ID | CF7qwFrtbug |
|---|---|
| InChI | InChI=1S/C21H20O2S/c1-15-13-16(2)21(17(3)14-15)24(22,23)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,1-3H3 |
| InChIKey | SUDTVKVDKDMVSQ-UHFFFAOYSA-N |
| Mol Weight | 336.45 g/mol |
| Molecular Formula | C21H20O2S |
| Exact Mass | 336.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gbw95YRkYZQ |
|---|---|
| Name | 2,4,6-Trimethyl-4'-phenyldiphenylsulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.118401056 u |
| Formula | C21H20O2S |
| InChI | InChI=1S/C21H20O2S/c1-15-13-16(2)21(17(3)14-15)24(22,23)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,1-3H3 |
| InChIKey | SUDTVKVDKDMVSQ-UHFFFAOYSA-N |
| Molecular Weight | 336.449 g/mol |
| SMILES | C1(S(=O)(=O)C2=C(C=C(C=C2C)C)C)=CC=C(C=C1)C1=CC=CC=C1 |