| SpectraBase Compound ID | Dcal0JjFgAp |
|---|---|
| InChI | InChI=1S/C18H9F5O4/c19-17(20,18(21,22)23)16(25)27-11-6-7-12-14(8-11)26-9-13(15(12)24)10-4-2-1-3-5-10/h1-9H |
| InChIKey | LIWWHSKRJCIFJQ-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 | B2yt4IRpn7o |
|---|---|
| Name | 7-(Pentafluoropropionyl)oxyisoflavone |
| 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)27-11-6-7-12-14(8-11)26-9-13(15(12)24)10-4-2-1-3-5-10/h1-9H |
| InChIKey | LIWWHSKRJCIFJQ-UHFFFAOYSA-N |
| Molecular Weight | 384.258 g/mol |
| SMILES | C1(=CC=CC=C1)C=1C(=O)C2=C(C=C(C=C2)OC(C(C(F)(F)F)(F)F)=O)OC1 |