| SpectraBase Compound ID | GmgrYs6yXs9 |
|---|---|
| InChI | InChI=1S/C14H13F7O2/c1-11(2,3)8-4-6-9(7-5-8)23-10(22)12(15,16)13(17,18)14(19,20)21/h4-7H,1-3H3 |
| InChIKey | VIAAJORBPCOLRY-UHFFFAOYSA-N |
| Mol Weight | 346.24 g/mol |
| Molecular Formula | C14H13F7O2 |
| Exact Mass | 346.080377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZylnXgO4a9 |
|---|---|
| Name | 4-Tert-butylphenol, o-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.080376798 u |
| Formula | C14H13F7O2 |
| InChI | InChI=1S/C14H13F7O2/c1-11(2,3)8-4-6-9(7-5-8)23-10(22)12(15,16)13(17,18)14(19,20)21/h4-7H,1-3H3 |
| InChIKey | VIAAJORBPCOLRY-UHFFFAOYSA-N |
| Molecular Weight | 346.245 g/mol |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |