| SpectraBase Compound ID | HmqeuH9Q4qe |
|---|---|
| InChI | InChI=1S/C19H19FO3/c1-13(2)23-19-11-7-15(20)12-17(19)18(21)10-6-14-4-8-16(22-3)9-5-14/h4-13H,1-3H3/b10-6+ |
| InChIKey | IUXMZNSPYDGCRR-UXBLZVDNSA-N |
| Mol Weight | 314.36 g/mol |
| Molecular Formula | C19H19FO3 |
| Exact Mass | 314.131823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEbbDCxMMc9 |
|---|---|
| Name | 5'-Fluoro-2'-isopropyloxy-4-methoxychalcone (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.131822632 u |
| Formula | C19H19FO3 |
| InChI | InChI=1S/C19H19FO3/c1-13(2)23-19-11-7-15(20)12-17(19)18(21)10-6-14-4-8-16(22-3)9-5-14/h4-13H,1-3H3/b10-6+ |
| InChIKey | IUXMZNSPYDGCRR-UXBLZVDNSA-N |
| Molecular Weight | 314.356 g/mol |
| SMILES | C1(=C(C=CC(=C1)F)OC(C)C)C(\C=C\C=1C=CC(=CC1)OC)=O |