| SpectraBase Compound ID | 6QrNEdyyWeo |
|---|---|
| InChI | InChI=1S/C11H5F3O4/c12-11(13,14)10(16)17-7-3-1-6-2-4-9(15)18-8(6)5-7/h1-5H |
| InChIKey | YFPCZFSCLZVSSY-UHFFFAOYSA-N |
| Mol Weight | 258.15 g/mol |
| Molecular Formula | C11H5F3O4 |
| Exact Mass | 258.013993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpKX8kXhCN4 |
|---|---|
| Name | 7-(Trifluoroacetyl)oxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.013993126 u |
| Formula | C11H5F3O4 |
| InChI | InChI=1S/C11H5F3O4/c12-11(13,14)10(16)17-7-3-1-6-2-4-9(15)18-8(6)5-7/h1-5H |
| InChIKey | YFPCZFSCLZVSSY-UHFFFAOYSA-N |
| Molecular Weight | 258.152 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2)OC(C(F)(F)F)=O |