| SpectraBase Compound ID | C0w4WHBWJi |
|---|---|
| InChI | InChI=1S/C11H5ClF8O2/c12-6-2-1-3-7(13)5(6)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2 |
| InChIKey | VGEWOXNCXOMEPT-UHFFFAOYSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C11H5ClF8O2 |
| Exact Mass | 355.985032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ahar0U8lI6G |
|---|---|
| Name | 2-Chloro-6-fluorobenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.985032403 u |
| Formula | C11H5ClF8O2 |
| InChI | InChI=1S/C11H5ClF8O2/c12-6-2-1-3-7(13)5(6)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2 |
| InChIKey | VGEWOXNCXOMEPT-UHFFFAOYSA-N |
| Molecular Weight | 356.599 g/mol |
| SMILES | C1(=C(C=CC=C1F)Cl)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |