| SpectraBase Compound ID | AXaVcCLCCgv |
|---|---|
| InChI | InChI=1S/C7H6F3NO3S/c8-7(9,10)15(12,13)14-6-3-1-5(11)2-4-6/h1-4H,11H2 |
| InChIKey | AYYDIRTZCUFMDY-UHFFFAOYSA-N |
| Mol Weight | 241.18 g/mol |
| Molecular Formula | C7H6F3NO3S |
| Exact Mass | 241.002049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ll25NrACqmT |
|---|---|
| Name | 4-Aminophenyl trifluoromethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.002048717 u |
| Formula | C7H6F3NO3S |
| InChI | InChI=1S/C7H6F3NO3S/c8-7(9,10)15(12,13)14-6-3-1-5(11)2-4-6/h1-4H,11H2 |
| InChIKey | AYYDIRTZCUFMDY-UHFFFAOYSA-N |
| Molecular Weight | 241.184 g/mol |
| SMILES | C1=C(C=CC(=C1)OS(C(F)(F)F)(=O)=O)N |