| SpectraBase Compound ID | R4boMeFWQP |
|---|---|
| InChI | InChI=1S/C17H11F7O2/c18-15(19,16(20,21)17(22,23)24)14(25)26-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | KWGTUUJYHFCRQD-UHFFFAOYSA-N |
| Mol Weight | 380.26 g/mol |
| Molecular Formula | C17H11F7O2 |
| Exact Mass | 380.064727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfxiY2Sse3J |
|---|---|
| Name | 4-Benzylphenol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.064726733 u |
| Formula | C17H11F7O2 |
| InChI | InChI=1S/C17H11F7O2/c18-15(19,16(20,21)17(22,23)24)14(25)26-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | KWGTUUJYHFCRQD-UHFFFAOYSA-N |
| Molecular Weight | 380.262 g/mol |
| SMILES | C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)CC1=CC=CC=C1 |