| SpectraBase Compound ID | 4lZaKW1Lc8W |
|---|---|
| InChI | InChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2 |
| InChIKey | MVTRQRSNYWDWMY-UHFFFAOYSA-N |
| Mol Weight | 193.19 g/mol |
| Molecular Formula | C7H6F3NS |
| Exact Mass | 193.017305 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5ZUd7zXkjjR |
|---|---|
| Name | 2-Amino-alpha,alpha,alpha-trifluoro-p-toluenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.017304860 u |
| Formula | C7H6F3NS |
| InChI | InChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2 |
| InChIKey | MVTRQRSNYWDWMY-UHFFFAOYSA-N |
| Molecular Weight | 193.187 g/mol |
| SMILES | NC1=CC(=CC=C1S)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.973228 |