| SpectraBase Compound ID | BGpN7h7LwC0 |
|---|---|
| InChI | InChI=1S/C19H22F2O2S/c20-19(21,24(22,23)18-14-8-4-9-15-18)16-10-2-1-5-11-17-12-6-3-7-13-17/h3-4,6-9,12-15H,1-2,5,10-11,16H2 |
| InChIKey | DSLQJRNBPXIFAF-UHFFFAOYSA-N |
| Mol Weight | 352.44 g/mol |
| Molecular Formula | C19H22F2O2S |
| Exact Mass | 352.130857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8751PhWXdI |
|---|---|
| Name | 1,1-Difluoro-7-phenylheptyl-phenyl-sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.130857446 u |
| Formula | C19H22F2O2S |
| InChI | InChI=1S/C19H22F2O2S/c20-19(21,24(22,23)18-14-8-4-9-15-18)16-10-2-1-5-11-17-12-6-3-7-13-17/h3-4,6-9,12-15H,1-2,5,10-11,16H2 |
| InChIKey | DSLQJRNBPXIFAF-UHFFFAOYSA-N |
| Molecular Weight | 352.440 g/mol |
| SMILES | C1(S(=O)(=O)C(F)(F)CCCCCCC2=CC=CC=C2)=CC=CC=C1 |