| SpectraBase Compound ID | 1AE9ar6h57j |
|---|---|
| InChI | InChI=1S/C7H6F3NS.Cl/c8-7(9,10)4-1-2-6(12)5(11)3-4;/h1-3,12H,11H2; |
| InChIKey | RQOAKMLNJMQQIW-UHFFFAOYSA-N |
| Mol Weight | 228.64 g/mol |
| Molecular Formula | C7H6ClF3NS |
| Exact Mass | 227.986158 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JHeUgnlUDyj |
|---|---|
| Name | 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.986157560 u |
| Formula | C7H6ClF3NS |
| InChI | InChI=1S/C7H6F3NS.Cl/c8-7(9,10)4-1-2-6(12)5(11)3-4;/h1-3,12H,11H2; |
| InChIKey | RQOAKMLNJMQQIW-UHFFFAOYSA-N |
| Molecular Weight | 228.640 g/mol |
| SMILES | C1(N)=C(C=CC(=C1)C(F)(F)F)S.[Cl] |
| Spectrum/Structure Validation Score (Raman) | 0.938735 |