| SpectraBase Compound ID | 5BItFD3LD62 |
|---|---|
| InChI | InChI=1S/C17H18F2O2S/c18-17(19,22(20,21)16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2 |
| InChIKey | LXGDECBBCIYQFU-UHFFFAOYSA-N |
| Mol Weight | 324.39 g/mol |
| Molecular Formula | C17H18F2O2S |
| Exact Mass | 324.099557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2JgELVAuPl |
|---|---|
| Name | 1,1-Difluoro-5-phenylpentyl-phenyl-sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.099557318 u |
| Formula | C17H18F2O2S |
| InChI | InChI=1S/C17H18F2O2S/c18-17(19,22(20,21)16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2 |
| InChIKey | LXGDECBBCIYQFU-UHFFFAOYSA-N |
| Molecular Weight | 324.386 g/mol |
| SMILES | C1(S(=O)(=O)C(F)(F)CCCCC2=CC=CC=C2)=CC=CC=C1 |