| SpectraBase Compound ID | EiBe0DWa4qT |
|---|---|
| InChI | InChI=1S/C8H8ClF7O3/c9-1-2-18-3-4-19-5(17)6(10,11)7(12,13)8(14,15)16/h1-4H2 |
| InChIKey | VFWWIOIQKUUHFJ-UHFFFAOYSA-N |
| Mol Weight | 320.59 g/mol |
| Molecular Formula | C8H8ClF7O3 |
| Exact Mass | 320.005019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQi0mlq8ywy |
|---|---|
| Name | 3-Oxypentanol, 5-chloro, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.005018956 u |
| Formula | C8H8ClF7O3 |
| InChI | InChI=1S/C8H8ClF7O3/c9-1-2-18-3-4-19-5(17)6(10,11)7(12,13)8(14,15)16/h1-4H2 |
| InChIKey | VFWWIOIQKUUHFJ-UHFFFAOYSA-N |
| Molecular Weight | 320.591 g/mol |
| SMILES | C(Cl)COCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |