| SpectraBase Compound ID | GLWocTOYzSV |
|---|---|
| InChI | InChI=1S/C12H8F8O2/c13-8-3-1-7(2-4-8)5-6-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2 |
| InChIKey | KFZPSRDRNRMLRF-UHFFFAOYSA-N |
| Mol Weight | 336.18 g/mol |
| Molecular Formula | C12H8F8O2 |
| Exact Mass | 336.039655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AqNl3RgCjdn |
|---|---|
| Name | 4-Fluorophenethyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.039654800 u |
| Formula | C12H8F8O2 |
| InChI | InChI=1S/C12H8F8O2/c13-8-3-1-7(2-4-8)5-6-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2 |
| InChIKey | KFZPSRDRNRMLRF-UHFFFAOYSA-N |
| Molecular Weight | 336.181 g/mol |
| SMILES | C1=CC(=CC=C1CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F)F |