| SpectraBase Compound ID | 2gvHegqjrx5 |
|---|---|
| InChI | InChI=1S/C19H19BrO2/c20-13-4-5-14-22-18-10-6-7-16(15-18)11-12-19(21)17-8-2-1-3-9-17/h1-3,6-12,15H,4-5,13-14H2/b12-11+ |
| InChIKey | YVPMGVWHSZNJNP-VAWYXSNFSA-N |
| Mol Weight | 359.26 g/mol |
| Molecular Formula | C19H19BrO2 |
| Exact Mass | 358.056843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I03BLWM0i80 |
|---|---|
| Name | (E)-3-Bromobutyloxychalcone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.056842850 u |
| Formula | C19H19BrO2 |
| InChI | InChI=1S/C19H19BrO2/c20-13-4-5-14-22-18-10-6-7-16(15-18)11-12-19(21)17-8-2-1-3-9-17/h1-3,6-12,15H,4-5,13-14H2/b12-11+ |
| InChIKey | YVPMGVWHSZNJNP-VAWYXSNFSA-N |
| Molecular Weight | 359.263 g/mol |
| SMILES | C1=CC(=CC=C1)C(\C=C\C1=CC(=CC=C1)OCCCCBr)=O |