| SpectraBase Compound ID | 20CecPRqr61 |
|---|---|
| InChI | InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2 |
| InChIKey | RYRLLAOLJVDVNN-UHFFFAOYSA-N |
| Mol Weight | 116.1 g/mol |
| Molecular Formula | C2H3F3S |
| Exact Mass | 115.990756 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EtCtOzbhm9P |
|---|---|
| Name | 2,2,2-Trifluoroethanethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.990755760 u |
| Formula | C2H3F3S |
| InChI | InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2 |
| InChIKey | RYRLLAOLJVDVNN-UHFFFAOYSA-N |
| Molecular Weight | 116.101 g/mol |
| SMILES | C(F)(CS)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.922256 |