| SpectraBase Compound ID | 5UIBfejNCwt |
|---|---|
| InChI | InChI=1S/C17H9F3O4/c18-17(19,20)16(22)23-12-7-6-11-8-13(10-4-2-1-3-5-10)15(21)24-14(11)9-12/h1-9H |
| InChIKey | ZGOYUUJQOXYFOL-UHFFFAOYSA-N |
| Mol Weight | 334.25 g/mol |
| Molecular Formula | C17H9F3O4 |
| Exact Mass | 334.045293 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 | CqeMMdZRYvO |
|---|---|
| Name | 7-Hydroxy-3-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)23-12-7-6-11-8-13(10-4-2-1-3-5-10)15(21)24-14(11)9-12/h1-9H |
| InChIKey | ZGOYUUJQOXYFOL-UHFFFAOYSA-N |
| Molecular Weight | 334.250 g/mol |
| SMILES | C1(=CC=CC=C1)C1=CC2=CC=C(C=C2OC1=O)OC(C(F)(F)F)=O |