| SpectraBase Compound ID | Adt4qsJpZhr |
|---|---|
| InChI | InChI=1S/C7H4ClF3O3S/c8-5-1-3-6(4-2-5)14-15(12,13)7(9,10)11/h1-4H |
| InChIKey | NIIJLHLBNABUFL-UHFFFAOYSA-N |
| Mol Weight | 260.61 g/mol |
| Molecular Formula | C7H4ClF3O3S |
| Exact Mass | 259.952177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GxsmyOSsbwL |
|---|---|
| Name | p-Chlorophenyl trifluoromethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.952177349 u |
| Formula | C7H4ClF3O3S |
| InChI | InChI=1S/C7H4ClF3O3S/c8-5-1-3-6(4-2-5)14-15(12,13)7(9,10)11/h1-4H |
| InChIKey | NIIJLHLBNABUFL-UHFFFAOYSA-N |
| Molecular Weight | 260.614 g/mol |
| SMILES | C(S(=O)(=O)OC1=CC=C(C=C1)Cl)(F)(F)F |