| SpectraBase Compound ID | EqyOTRPcDrl |
|---|---|
| InChI | InChI=1S/C18H11F5O4/c19-17(20,18(21,22)23)16(25)27-14-8-4-2-6-11(14)15-9-12(24)10-5-1-3-7-13(10)26-15/h1-8,15H,9H2 |
| InChIKey | VNBVBHODJBDKBE-UHFFFAOYSA-N |
| Mol Weight | 386.27 g/mol |
| Molecular Formula | C18H11F5O4 |
| Exact Mass | 386.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HntoMBbUic |
|---|---|
| Name | 2'-Hydroxyflavanone, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.057749645 u |
| Formula | C18H11F5O4 |
| InChI | InChI=1S/C18H11F5O4/c19-17(20,18(21,22)23)16(25)27-14-8-4-2-6-11(14)15-9-12(24)10-5-1-3-7-13(10)26-15/h1-8,15H,9H2 |
| InChIKey | VNBVBHODJBDKBE-UHFFFAOYSA-N |
| Molecular Weight | 386.274 g/mol |
| SMILES | C12=CC=CC=C2C(CC(O1)C1=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)=O |