| SpectraBase Compound ID | 2IBhWVFA1wd |
|---|---|
| InChI | InChI=1S/C9H5ClF4O2/c10-6-2-1-3-7(11)5(6)4-16-8(15)9(12,13)14/h1-3H,4H2 |
| InChIKey | DKWHHYYIQRBSSW-UHFFFAOYSA-N |
| Mol Weight | 256.58 g/mol |
| Molecular Formula | C9H5ClF4O2 |
| Exact Mass | 255.99142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mW78ugDrmU |
|---|---|
| Name | 2-Chloro-6-fluorobenzyl alcohol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.991419751 u |
| Formula | C9H5ClF4O2 |
| InChI | InChI=1S/C9H5ClF4O2/c10-6-2-1-3-7(11)5(6)4-16-8(15)9(12,13)14/h1-3H,4H2 |
| InChIKey | DKWHHYYIQRBSSW-UHFFFAOYSA-N |
| Molecular Weight | 256.584 g/mol |
| SMILES | C1(=C(C=CC=C1F)Cl)COC(C(F)(F)F)=O |