| SpectraBase Compound ID | 1mNi97YDtKy |
|---|---|
| InChI | InChI=1S/C9H9F3S/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | ZDVBYNCJCIYCFO-UHFFFAOYSA-N |
| Mol Weight | 206.23 g/mol |
| Molecular Formula | C9H9F3S |
| Exact Mass | 206.037706 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EH8orhWX0vg |
|---|---|
| Name | 2,2,2-Trifluoroethylsulfanylmethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.037705953 u |
| Formula | C9H9F3S |
| InChI | InChI=1S/C9H9F3S/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | ZDVBYNCJCIYCFO-UHFFFAOYSA-N |
| Molecular Weight | 206.226 g/mol |
| SMILES | C(F)(F)(F)CSCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.988049 |