| SpectraBase Compound ID | Ehc0ZYG87k1 |
|---|---|
| InChI | InChI=1S/C6H7F5S2/c7-5(8,6(9,10)11)4-12-2-1-3-13-4/h4H,1-3H2 |
| InChIKey | HBQPHGKOQJIQLN-UHFFFAOYSA-N |
| Mol Weight | 238.23 g/mol |
| Molecular Formula | C6H7F5S2 |
| Exact Mass | 237.990933 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6ZZfDH6vKze |
|---|---|
| Name | 2-(1,1,2,2,2-Pentafluoroethyl)-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.990933388 u |
| Formula | C6H7F5S2 |
| InChI | InChI=1S/C6H7F5S2/c7-5(8,6(9,10)11)4-12-2-1-3-13-4/h4H,1-3H2 |
| InChIKey | HBQPHGKOQJIQLN-UHFFFAOYSA-N |
| Molecular Weight | 238.234 g/mol |
| SMILES | C(C(F)(F)F)(C1SCCCS1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80541 |