| SpectraBase Compound ID | D692VOO1HG2 |
|---|---|
| InChI | InChI=1S/C12H8ClF7O3/c13-7-3-1-2-4-8(7)22-5-6-23-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2 |
| InChIKey | VPSFZJSKJBGZDO-UHFFFAOYSA-N |
| Mol Weight | 368.63 g/mol |
| Molecular Formula | C12H8ClF7O3 |
| Exact Mass | 368.005019 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJrmvrFNhUk |
|---|---|
| Name | 2-(2-Chlorophenoxy)ethanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.005018956 u |
| Formula | C12H8ClF7O3 |
| InChI | InChI=1S/C12H8ClF7O3/c13-7-3-1-2-4-8(7)22-5-6-23-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2 |
| InChIKey | VPSFZJSKJBGZDO-UHFFFAOYSA-N |
| Molecular Weight | 368.635 g/mol |
| SMILES | C1(=CC=CC=C1OCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl |