| SpectraBase Compound ID | 8WZpGRaAKkx |
|---|---|
| InChI | InChI=1S/C18H15FO4/c1-12(20)23-18-10-6-14(19)11-16(18)17(21)9-5-13-3-7-15(22-2)8-4-13/h3-11H,1-2H3/b9-5+ |
| InChIKey | LAUWEGUWHCCNLB-WEVVVXLNSA-N |
| Mol Weight | 314.31 g/mol |
| Molecular Formula | C18H15FO4 |
| Exact Mass | 314.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7rx8ilEkFi7 |
|---|---|
| Name | 5'-Fluoro-2'-(acetyl)oxy-4-methoxychalcone (isomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.095437122 u |
| Formula | C18H15FO4 |
| InChI | InChI=1S/C18H15FO4/c1-12(20)23-18-10-6-14(19)11-16(18)17(21)9-5-13-3-7-15(22-2)8-4-13/h3-11H,1-2H3/b9-5+ |
| InChIKey | LAUWEGUWHCCNLB-WEVVVXLNSA-N |
| Molecular Weight | 314.312 g/mol |
| SMILES | C1(=C(C=CC(=C1)F)OC(C)=O)C(\C=C\C=1C=CC(=CC1)OC)=O |