| SpectraBase Compound ID | 26NHM3wilJ8 |
|---|---|
| InChI | InChI=1S/C15H7F3O4/c16-15(17,18)14(20)21-8-5-6-10-12(7-8)22-11-4-2-1-3-9(11)13(10)19/h1-7H |
| InChIKey | WQTHQEKVDMXIRP-UHFFFAOYSA-N |
| Mol Weight | 308.21 g/mol |
| Molecular Formula | C15H7F3O4 |
| Exact Mass | 308.029643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hpY3M05jAJ |
|---|---|
| Name | 3-Hydroxyxanthone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.029643190 u |
| Formula | C15H7F3O4 |
| InChI | InChI=1S/C15H7F3O4/c16-15(17,18)14(20)21-8-5-6-10-12(7-8)22-11-4-2-1-3-9(11)13(10)19/h1-7H |
| InChIKey | WQTHQEKVDMXIRP-UHFFFAOYSA-N |
| Molecular Weight | 308.212 g/mol |
| SMILES | C1=2OC3=C(C(C2C=CC(=C1)OC(C(F)(F)F)=O)=O)C=CC=C3 |