| SpectraBase Compound ID | IhwQ1sEt9vE |
|---|---|
| InChI | InChI=1S/C17H9F7O3/c18-15(19,16(20,21)17(22,23)24)14(26)27-12-8-4-7-11(9-12)13(25)10-5-2-1-3-6-10/h1-9H |
| InChIKey | HWWSWVYOOGAPCF-UHFFFAOYSA-N |
| Mol Weight | 394.24 g/mol |
| Molecular Formula | C17H9F7O3 |
| Exact Mass | 394.043991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxVp2ixY8zv |
|---|---|
| Name | 3-Hydroxybenzophenone, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.043991288 u |
| Formula | C17H9F7O3 |
| InChI | InChI=1S/C17H9F7O3/c18-15(19,16(20,21)17(22,23)24)14(26)27-12-8-4-7-11(9-12)13(25)10-5-2-1-3-6-10/h1-9H |
| InChIKey | HWWSWVYOOGAPCF-UHFFFAOYSA-N |
| Molecular Weight | 394.245 g/mol |
| SMILES | C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=CC=C1)C(=O)C1=CC=CC=C1 |