| SpectraBase Compound ID | 4q6BJMlpK8N |
|---|---|
| InChI | InChI=1S/C8H8F6O4S/c9-7(10,11)5(15)17-1-3-19-4-2-18-6(16)8(12,13)14/h1-4H2 |
| InChIKey | VMIZTZLHIUYQRN-UHFFFAOYSA-N |
| Mol Weight | 314.2 g/mol |
| Molecular Formula | C8H8F6O4S |
| Exact Mass | 314.004749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7paJNZOP6JS |
|---|---|
| Name | Thiodiglycol, bis(trifluoroacetate)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.004748886 u |
| Formula | C8H8F6O4S |
| InChI | InChI=1S/C8H8F6O4S/c9-7(10,11)5(15)17-1-3-19-4-2-18-6(16)8(12,13)14/h1-4H2 |
| InChIKey | VMIZTZLHIUYQRN-UHFFFAOYSA-N |
| Molecular Weight | 314.198 g/mol |
| SMILES | C(OCCSCCOC(=O)C(F)(F)F)(=O)C(F)(F)F |