| SpectraBase Compound ID | LIy5oJ3l98B |
|---|---|
| InChI | InChI=1S/C18H9F5O4/c19-17(20,18(21,22)23)16(25)26-11-6-7-12-13(10-4-2-1-3-5-10)9-15(24)27-14(12)8-11/h1-9H |
| InChIKey | ALSAMPIUWHMUSD-UHFFFAOYSA-N |
| Mol Weight | 384.26 g/mol |
| Molecular Formula | C18H9F5O4 |
| Exact Mass | 384.0421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hpEyLqiAcu |
|---|---|
| Name | 7-Hydroxy-4-phenylcoumarin, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.042099581 u |
| Formula | C18H9F5O4 |
| InChI | InChI=1S/C18H9F5O4/c19-17(20,18(21,22)23)16(25)26-11-6-7-12-13(10-4-2-1-3-5-10)9-15(24)27-14(12)8-11/h1-9H |
| InChIKey | ALSAMPIUWHMUSD-UHFFFAOYSA-N |
| Molecular Weight | 384.258 g/mol |
| SMILES | C1=2OC(C=C(C2C=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1)=O |