| SpectraBase Compound ID | AqjUYaMCKnB |
|---|---|
| InChI | InChI=1S/C13H13F5O2/c1-8(2)10-5-3-9(4-6-10)7-20-11(19)12(14,15)13(16,17)18/h3-6,8H,7H2,1-2H3 |
| InChIKey | DCZUCMHXAOPHNV-UHFFFAOYSA-N |
| Mol Weight | 296.24 g/mol |
| Molecular Formula | C13H13F5O2 |
| Exact Mass | 296.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FRoBbEYunVS |
|---|---|
| Name | Cuminyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.083570472 u |
| Formula | C13H13F5O2 |
| InChI | InChI=1S/C13H13F5O2/c1-8(2)10-5-3-9(4-6-10)7-20-11(19)12(14,15)13(16,17)18/h3-6,8H,7H2,1-2H3 |
| InChIKey | DCZUCMHXAOPHNV-UHFFFAOYSA-N |
| Molecular Weight | 296.237 g/mol |
| SMILES | C(C)(C)C1=CC=C(C=C1)COC(C(C(F)(F)F)(F)F)=O |