| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbHW0jdP3MS |
|---|---|
| Name | 3-(Methylthio)propyl 2,2,2-trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| 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 |