| SpectraBase Compound ID | 69lxtTtKhNp |
|---|---|
| InChI | InChI=1S/C8H5ClF2S/c9-7(8(10)11)12-6-4-2-1-3-5-6/h1-5H |
| InChIKey | UGACTEHDKZLECK-UHFFFAOYSA-N |
| Mol Weight | 206.64 g/mol |
| Molecular Formula | C8H5ClF2S |
| Exact Mass | 205.976855 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5pCYkAZ3oTP |
|---|---|
| Name | 1-Chloro-2,2-difluoro-1-(phenylthio)-ethene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.976855361 u |
| Formula | C8H5ClF2S |
| InChI | InChI=1S/C8H5ClF2S/c9-7(8(10)11)12-6-4-2-1-3-5-6/h1-5H |
| InChIKey | UGACTEHDKZLECK-UHFFFAOYSA-N |
| Molecular Weight | 206.638 g/mol |
| SMILES | C=1(SC(Cl)=C(F)F)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860051 |