| SpectraBase Compound ID | 5QxZDrgu9FZ |
|---|---|
| InChI | InChI=1S/C16H10BrFO2/c17-11-7-5-10(6-8-11)9-13-15(19)12-3-1-2-4-14(12)20-16(13)18/h1-9,16H/b13-9- |
| InChIKey | MALOMWNJOCSLDY-LCYFTJDESA-N |
| Mol Weight | 333.16 g/mol |
| Molecular Formula | C16H10BrFO2 |
| Exact Mass | 331.984821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C34Nb5F2prf |
|---|---|
| Name | (E)-3-(4-Bromobenzylidene)-2,3-dihydro-2-fluorochroman-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.984820723 u |
| Formula | C16H10BrFO2 |
| InChI | InChI=1S/C16H10BrFO2/c17-11-7-5-10(6-8-11)9-13-15(19)12-3-1-2-4-14(12)20-16(13)18/h1-9,16H/b13-9- |
| InChIKey | MALOMWNJOCSLDY-LCYFTJDESA-N |
| Molecular Weight | 333.156 g/mol |
| SMILES | C1(F)\C(C(=O)C2=CC=CC=C2O1)=C/C1=CC=C(Br)C=C1 |