| SpectraBase Compound ID | 1D7hidO4wI0 |
|---|---|
| InChI | InChI=1S/C18H9F5O4/c19-17(20,18(21,22)23)16(25)27-15-13(24)11-8-4-5-9-12(11)26-14(15)10-6-2-1-3-7-10/h1-9H |
| InChIKey | NTZYSCQPIHZHGR-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 | 2pZpI91SEZf |
|---|---|
| Name | 3-Hydroxyflavone, 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)27-15-13(24)11-8-4-5-9-12(11)26-14(15)10-6-2-1-3-7-10/h1-9H |
| InChIKey | NTZYSCQPIHZHGR-UHFFFAOYSA-N |
| Molecular Weight | 384.258 g/mol |
| SMILES | C1=C(C=CC=C1)C1=C(OC(C(C(F)(F)F)(F)F)=O)C(C2=CC=CC=C2O1)=O |