| SpectraBase Compound ID | EeBrFvqlbrX |
|---|---|
| InChI | InChI=1S/C18H17FO3/c1-3-22-18-11-7-14(19)12-16(18)17(20)10-6-13-4-8-15(21-2)9-5-13/h4-12H,3H2,1-2H3/b10-6+ |
| InChIKey | VVJGCSIURWKUGY-UXBLZVDNSA-N |
| Mol Weight | 300.33 g/mol |
| Molecular Formula | C18H17FO3 |
| Exact Mass | 300.116173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKR0mZes4Bx |
|---|---|
| Name | 5'-Fluoro-2'-ethoxy-4-methoxychalcone (isomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.116172567 u |
| Formula | C18H17FO3 |
| InChI | InChI=1S/C18H17FO3/c1-3-22-18-11-7-14(19)12-16(18)17(20)10-6-13-4-8-15(21-2)9-5-13/h4-12H,3H2,1-2H3/b10-6+ |
| InChIKey | VVJGCSIURWKUGY-UXBLZVDNSA-N |
| Molecular Weight | 300.329 g/mol |
| SMILES | C1(=C(C=CC(=C1)F)OCC)C(\C=C\C=1C=CC(=CC1)OC)=O |