| SpectraBase Compound ID | 1hlqYyaPj6r |
|---|---|
| InChI | InChI=1S/C19H15F7O2/c1-16(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)28-15(27)17(20,21)18(22,23)19(24,25)26/h3-11H,1-2H3 |
| InChIKey | IBJOPNQVDVVLEL-UHFFFAOYSA-N |
| Mol Weight | 408.32 g/mol |
| Molecular Formula | C19H15F7O2 |
| Exact Mass | 408.096027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FKDdK0jBksv |
|---|---|
| Name | 4-Cumylphenol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.096026862 u |
| Formula | C19H15F7O2 |
| InChI | InChI=1S/C19H15F7O2/c1-16(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)28-15(27)17(20,21)18(22,23)19(24,25)26/h3-11H,1-2H3 |
| InChIKey | IBJOPNQVDVVLEL-UHFFFAOYSA-N |
| Molecular Weight | 408.316 g/mol |
| SMILES | C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)C(C)(C)C1=CC=CC=C1 |