| SpectraBase Compound ID | IcqqsriIz2H |
|---|---|
| InChI | InChI=1S/C17H7F7O4/c18-15(19,16(20,21)17(22,23)24)14(26)27-8-5-6-10-12(7-8)28-11-4-2-1-3-9(11)13(10)25/h1-7H |
| InChIKey | WONNVIBMWQXMPO-UHFFFAOYSA-N |
| Mol Weight | 408.23 g/mol |
| Molecular Formula | C17H7F7O4 |
| Exact Mass | 408.023256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9Jg5krxQGeT |
|---|---|
| Name | 3-Hydroxyxanthone, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.023255842 u |
| Formula | C17H7F7O4 |
| InChI | InChI=1S/C17H7F7O4/c18-15(19,16(20,21)17(22,23)24)14(26)27-8-5-6-10-12(7-8)28-11-4-2-1-3-9(11)13(10)25/h1-7H |
| InChIKey | WONNVIBMWQXMPO-UHFFFAOYSA-N |
| Molecular Weight | 408.228 g/mol |
| SMILES | C1=2OC3=C(C(C2C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O)C=CC=C3 |