| SpectraBase Compound ID | FgfO9WLHsap |
|---|---|
| InChI | InChI=1S/C8H7F3S/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3 |
| InChIKey | DZBNBTCLFBOHJR-UHFFFAOYSA-N |
| Mol Weight | 192.2 g/mol |
| Molecular Formula | C8H7F3S |
| Exact Mass | 192.022056 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B0zqDJTbnqH |
|---|---|
| Name | 2-(Trifluoromethyl)thiophenol, S-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.022055888 u |
| Formula | C8H7F3S |
| InChI | InChI=1S/C8H7F3S/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3 |
| InChIKey | DZBNBTCLFBOHJR-UHFFFAOYSA-N |
| Molecular Weight | 192.199 g/mol |
| SMILES | C1(=C(C=CC=C1)C(F)(F)F)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919742 |