![4-[(Trifluoromethyl)sulfanyl]benzoic acid](/api/spectrum/JZV4nbY91ki/structure.png?h=300&w=458 "4-[(Trifluoromethyl)sulfanyl]benzoic acid")
| SpectraBase Compound ID | 2JytqbMj8pA |
|---|---|
| InChI | InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | UMOGQQWVQUQTQA-UHFFFAOYSA-N |
| Mol Weight | 222.18 g/mol |
| Molecular Formula | C8H5F3O2S |
| Exact Mass | 221.996235 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZV4nbY91ki |
|---|---|
| Name | p-[(trifluoromethyl)thio]benzoic acid |
| Source of Sample | Pierce Chemical Company, Rockford, Illinois |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H5F3O2S |
| InChI | InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | UMOGQQWVQUQTQA-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 908M |
| Solvent | TFA |
| Synonyms | BENZOIC ACID, P-//TRIFLUOROMETHYL/- THIO/-, |