| SpectraBase Compound ID | ByE2GxzTrHd |
|---|---|
| InChI | InChI=1S/C5H6F6S/c1-2-12-3(4(6,7)8)5(9,10)11/h3H,2H2,1H3 |
| InChIKey | LZSKGXVSTGMFOH-UHFFFAOYSA-N |
| Mol Weight | 212.15 g/mol |
| Molecular Formula | C5H6F6S |
| Exact Mass | 212.00944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3W7CmGTXMA |
|---|---|
| Name | 2-Ethylthio-1,1,1,3,3,3-hexafluoropropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.009440345 u |
| Formula | C5H6F6S |
| InChI | InChI=1S/C5H6F6S/c1-2-12-3(4(6,7)8)5(9,10)11/h3H,2H2,1H3 |
| InChIKey | LZSKGXVSTGMFOH-UHFFFAOYSA-N |
| Molecular Weight | 212.153 g/mol |
| SMILES | C(C(F)(F)F)(C(F)(F)F)SCC |