| SpectraBase Compound ID | CHEKSOC9xmq |
|---|---|
| InChI | InChI=1S/C13H13F5O2/c1-3-8(2)9-4-6-10(7-5-9)20-11(19)12(14,15)13(16,17)18/h4-8H,3H2,1-2H3 |
| InChIKey | LVKJHEBEOCWVRF-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 | LV8Lwvcgj4L |
|---|---|
| Name | 4-sec-Butylphenol, o-pentafluoropropionyl- |
| 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/c1-3-8(2)9-4-6-10(7-5-9)20-11(19)12(14,15)13(16,17)18/h4-8H,3H2,1-2H3 |
| InChIKey | LVKJHEBEOCWVRF-UHFFFAOYSA-N |
| Molecular Weight | 296.237 g/mol |
| SMILES | C(CC)(C)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |