| SpectraBase Compound ID | LaIqg5Y1qnt |
|---|---|
| InChI | InChI=1S/C6H6Cl3F3O2/c1-4(2,6(7,8)9)14-3(13)5(10,11)12/h1-2H3 |
| InChIKey | OKLCHBHCSFXJMM-UHFFFAOYSA-N |
| Mol Weight | 273.47 g/mol |
| Molecular Formula | C6H6Cl3F3O2 |
| Exact Mass | 271.938547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vrpMhFt7qx |
|---|---|
| Name | 1,1,1-Trichloro-2-methylpropan-2-ol, o-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.938547020 u |
| Formula | C6H6Cl3F3O2 |
| InChI | InChI=1S/C6H6Cl3F3O2/c1-4(2,6(7,8)9)14-3(13)5(10,11)12/h1-2H3 |
| InChIKey | OKLCHBHCSFXJMM-UHFFFAOYSA-N |
| Molecular Weight | 273.466 g/mol |
| SMILES | C(C(C)(OC(=O)C(F)(F)F)C)(Cl)(Cl)Cl |