| SpectraBase Compound ID | Ayl5qzcj7nK |
|---|---|
| InChI | InChI=1S/C15H13F3O2S/c1-11-2-8-14(9-3-11)21(19,20)10-12-4-6-13(7-5-12)15(16,17)18/h2-9H,10H2,1H3 |
| InChIKey | MLWGOOFGWJVWGR-UHFFFAOYSA-N |
| Mol Weight | 314.32 g/mol |
| Molecular Formula | C15H13F3O2S |
| Exact Mass | 314.058835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HB0YA0Ys4c3 |
|---|---|
| Name | p-Tolyl p-(trifluoromethyl)benzyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.058835320 u |
| Formula | C15H13F3O2S |
| InChI | InChI=1S/C15H13F3O2S/c1-11-2-8-14(9-3-11)21(19,20)10-12-4-6-13(7-5-12)15(16,17)18/h2-9H,10H2,1H3 |
| InChIKey | MLWGOOFGWJVWGR-UHFFFAOYSA-N |
| Molecular Weight | 314.322 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)CS(=O)(=O)C=1C=CC(=CC1)C |