| SpectraBase Compound ID | 819FhDvGGPf |
|---|---|
| InChI | InChI=1S/C16H11F3O3/c17-16(18,19)9-21-15(20)14-10-5-1-3-7-12(10)22-13-8-4-2-6-11(13)14/h1-8,14H,9H2 |
| InChIKey | BXAWIIKQQLAHRO-UHFFFAOYSA-N |
| Mol Weight | 308.26 g/mol |
| Molecular Formula | C16H11F3O3 |
| Exact Mass | 308.066029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yuxpE22We1 |
|---|---|
| Name | 9-Xanthenecarboxylic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.066028700 u |
| Formula | C16H11F3O3 |
| InChI | InChI=1S/C16H11F3O3/c17-16(18,19)9-21-15(20)14-10-5-1-3-7-12(10)22-13-8-4-2-6-11(13)14/h1-8,14H,9H2 |
| InChIKey | BXAWIIKQQLAHRO-UHFFFAOYSA-N |
| Molecular Weight | 308.256 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C1=CC=CC=C1O2)C(=O)OCC(F)(F)F |