| SpectraBase Compound ID | GG0GeIkieod |
|---|---|
| InChI | InChI=1S/C17H9F3O4/c18-17(19,20)16(22)23-11-6-7-12-13(10-4-2-1-3-5-10)9-15(21)24-14(12)8-11/h1-9H |
| InChIKey | WBKASPFHGUDXLO-UHFFFAOYSA-N |
| Mol Weight | 334.25 g/mol |
| Molecular Formula | C17H9F3O4 |
| Exact Mass | 334.045293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJdz3yfl6Ko |
|---|---|
| Name | 7-Hydroxy-4-phenylcoumarin, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.045293255 u |
| Formula | C17H9F3O4 |
| InChI | InChI=1S/C17H9F3O4/c18-17(19,20)16(22)23-11-6-7-12-13(10-4-2-1-3-5-10)9-15(21)24-14(12)8-11/h1-9H |
| InChIKey | WBKASPFHGUDXLO-UHFFFAOYSA-N |
| Molecular Weight | 334.250 g/mol |
| SMILES | C1=2OC(C=C(C2C=CC(=C1)OC(C(F)(F)F)=O)C1=CC=CC=C1)=O |