| SpectraBase Compound ID | DwlbsFVX1Uz |
|---|---|
| InChI | InChI=1S/C16H7F5O4/c17-15(18,16(19,20)21)14(23)24-8-5-6-10-12(7-8)25-11-4-2-1-3-9(11)13(10)22/h1-7H |
| InChIKey | OJCYYHIOAHTDCV-UHFFFAOYSA-N |
| Mol Weight | 358.22 g/mol |
| Molecular Formula | C16H7F5O4 |
| Exact Mass | 358.02645 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 | HNdOCLuKJN7 |
|---|---|
| Name | 3-Hydroxyxanthone, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.026449516 u |
| Formula | C16H7F5O4 |
| InChI | InChI=1S/C16H7F5O4/c17-15(18,16(19,20)21)14(23)24-8-5-6-10-12(7-8)25-11-4-2-1-3-9(11)13(10)22/h1-7H |
| InChIKey | OJCYYHIOAHTDCV-UHFFFAOYSA-N |
| Molecular Weight | 358.220 g/mol |
| SMILES | C1=2OC3=C(C(C2C=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)=O)C=CC=C3 |