| SpectraBase Compound ID | Efuh10JgKaD |
|---|---|
| InChI | InChI=1S/C12H8F8O2/c1-6(7-2-4-8(13)5-3-7)22-9(21)10(14,15)11(16,17)12(18,19)20/h2-6H,1H3 |
| InChIKey | FPFQPFWVRCGRBY-UHFFFAOYSA-N |
| Mol Weight | 336.18 g/mol |
| Molecular Formula | C12H8F8O2 |
| Exact Mass | 336.039655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkBJVwahvR9 |
|---|---|
| Name | 4-Fluoro-.alpha.-methylbenzyl 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/c1-6(7-2-4-8(13)5-3-7)22-9(21)10(14,15)11(16,17)12(18,19)20/h2-6H,1H3 |
| InChIKey | FPFQPFWVRCGRBY-UHFFFAOYSA-N |
| Molecular Weight | 336.181 g/mol |
| SMILES | C1(=CC=C(C=C1)F)C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |