| SpectraBase Compound ID | 6UEOBcWNlMF |
|---|---|
| InChI | InChI=1S/C6H9F3O2S/c1-12-4-2-3-11-5(10)6(7,8)9/h2-4H2,1H3 |
| InChIKey | ODHIWSRDHCPVBX-UHFFFAOYSA-N |
| Mol Weight | 202.19 g/mol |
| Molecular Formula | C6H9F3O2S |
| Exact Mass | 202.027535 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 | yFDyjlaaxN |
|---|---|
| Name | 3-(Methylthio)propyl 2,2,2-trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.027535191 u |
| Formula | C6H9F3O2S |
| InChI | InChI=1S/C6H9F3O2S/c1-12-4-2-3-11-5(10)6(7,8)9/h2-4H2,1H3 |
| InChIKey | ODHIWSRDHCPVBX-UHFFFAOYSA-N |
| Molecular Weight | 202.191 g/mol |
| SMILES | CSCCCOC(=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91471 |