| SpectraBase Compound ID | 23Fr0vkAfKA |
|---|---|
| InChI | InChI=1S/C11H12F2O2S/c1-2-15-10(14)11(12,13)16-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | VGXAYBVSTTYUCL-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C11H12F2O2S |
| Exact Mass | 246.052607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MNWTyhaykB |
|---|---|
| Name | Ethyl-2-(benzylthio)-2,2-difluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.052607124 u |
| Formula | C11H12F2O2S |
| InChI | InChI=1S/C11H12F2O2S/c1-2-15-10(14)11(12,13)16-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | VGXAYBVSTTYUCL-UHFFFAOYSA-N |
| Molecular Weight | 246.272 g/mol |
| SMILES | C(=O)(OCC)C(F)(F)SCC1=CC=CC=C1 |