| SpectraBase Compound ID | 4glaWRE2ozj |
|---|---|
| InChI | InChI=1S/C5H8ClFO2S/c1-3-10-5(6,7)4(8)9-2/h3H2,1-2H3 |
| InChIKey | DTZORMFMFCCYJD-UHFFFAOYSA-N |
| Mol Weight | 186.63 g/mol |
| Molecular Formula | C5H8ClFO2S |
| Exact Mass | 185.991757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2NRaMEH3xEH |
|---|---|
| Name | 2-Chloro-2-(ethylthio)-2-fluoro-acetic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.991756533 u |
| Formula | C5H8ClFO2S |
| InChI | InChI=1S/C5H8ClFO2S/c1-3-10-5(6,7)4(8)9-2/h3H2,1-2H3 |
| InChIKey | DTZORMFMFCCYJD-UHFFFAOYSA-N |
| Molecular Weight | 186.628 g/mol |
| SMILES | C(C(=O)OC)(SCC)(F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889429 |