| SpectraBase Compound ID | 2PiFkWEuz81 |
|---|---|
| InChI | InChI=1S/C9H9F3OS/c1-7-2-4-8(5-3-7)14(13)6-9(10,11)12/h2-5H,6H2,1H3 |
| InChIKey | HVANAUULWMXEIT-UHFFFAOYSA-N |
| Mol Weight | 222.23 g/mol |
| Molecular Formula | C9H9F3OS |
| Exact Mass | 222.032621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RiVJqp77Zl |
|---|---|
| Name | 1,1,1-Trifluoro-2-(4-methylbenzenesulfinyl)-ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.032620572 u |
| Formula | C9H9F3OS |
| InChI | InChI=1S/C9H9F3OS/c1-7-2-4-8(5-3-7)14(13)6-9(10,11)12/h2-5H,6H2,1H3 |
| InChIKey | HVANAUULWMXEIT-UHFFFAOYSA-N |
| Molecular Weight | 222.225 g/mol |
| SMILES | C(F)(F)(F)CS(=O)C1=CC=C(C=C1)C |