![[(2-Chloro-1,1,2-trifluoro-ethyl)thio]benzene](/api/spectrum/2rvdzU7ZUGw/structure.png?h=300&w=458 "[(2-Chloro-1,1,2-trifluoro-ethyl)thio]benzene")
| SpectraBase Compound ID | IrWmuo27eci |
|---|---|
| InChI | InChI=1S/C8H6ClF3S/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H |
| InChIKey | IYCFIHFYXTYBBG-UHFFFAOYSA-N |
| Mol Weight | 226.64 g/mol |
| Molecular Formula | C8H6ClF3S |
| Exact Mass | 225.983084 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2rvdzU7ZUGw |
|---|---|
| Name | [(2-Chloro-1,1,2-trifluoro-ethyl)thio]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.983083556 u |
| Formula | C8H6ClF3S |
| InChI | InChI=1S/C8H6ClF3S/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H |
| InChIKey | IYCFIHFYXTYBBG-UHFFFAOYSA-N |
| Molecular Weight | 226.644 g/mol |
| SMILES | C(C(F)Cl)(SC=1C=CC=CC1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846113 |