![4'-[(6-bromohexyl)oxy]-4-methoxychalcone](/api/spectrum/7hruLxn5rvq/structure.png?h=300&w=458 "4'-[(6-bromohexyl)oxy]-4-methoxychalcone")
| SpectraBase Compound ID | kHxlKcOrAz |
|---|---|
| InChI | InChI=1S/C22H25BrO3/c1-25-20-11-6-18(7-12-20)8-15-22(24)19-9-13-21(14-10-19)26-17-5-3-2-4-16-23/h6-15H,2-5,16-17H2,1H3 |
| InChIKey | VDVHTQMREIWSLF-UHFFFAOYSA-N |
| Mol Weight | 417.34 g/mol |
| Molecular Formula | C22H25BrO3 |
| Exact Mass | 416.098708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hruLxn5rvq |
|---|---|
| Name | 4'-[(6-bromohexyl)oxy]-4-methoxychalcone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.098707662 u |
| Formula | C22H25BrO3 |
| InChI | InChI=1S/C22H25BrO3/c1-25-20-11-6-18(7-12-20)8-15-22(24)19-9-13-21(14-10-19)26-17-5-3-2-4-16-23/h6-15H,2-5,16-17H2,1H3 |
| InChIKey | VDVHTQMREIWSLF-UHFFFAOYSA-N |
| Molecular Weight | 417.343 g/mol |
| SMILES | C=1C=C(C=CC1C(=O)C=CC=1C=CC(=CC1)OC)OCCCCCCBr |