| SpectraBase Compound ID | KCq0l8HA8Oi |
|---|---|
| InChI | InChI=1S/C10H9F3O3S/c1-15-7-4-3-6(5-8(7)16-2)17-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | KKAHMXYSCAHRIH-UHFFFAOYSA-N |
| Mol Weight | 266.23 g/mol |
| Molecular Formula | C10H9F3O3S |
| Exact Mass | 266.02245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6p9CwTL4obj |
|---|---|
| Name | 3,4-Dimethoxythiophenol, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.022449810 u |
| Formula | C10H9F3O3S |
| InChI | InChI=1S/C10H9F3O3S/c1-15-7-4-3-6(5-8(7)16-2)17-9(14)10(11,12)13/h3-5H,1-2H3 |
| InChIKey | KKAHMXYSCAHRIH-UHFFFAOYSA-N |
| Molecular Weight | 266.234 g/mol |
| SMILES | C1(SC(C(F)(F)F)=O)=CC(=C(C=C1)OC)OC |