| SpectraBase Compound ID | F9ZMilZWmkc |
|---|---|
| InChI | InChI=1S/C13H16BrNO2/c1-3-15(4-2)8-7-13(17)11-9-10(14)5-6-12(11)16/h5-9,16H,3-4H2,1-2H3/b8-7+ |
| InChIKey | WGCAWTUPPWTJJF-BQYQJAHWSA-N |
| Mol Weight | 298.18 g/mol |
| Molecular Formula | C13H16BrNO2 |
| Exact Mass | 297.036442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kn8FNw82fkV |
|---|---|
| Name | 1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.036441757 u |
| Formula | C13H16BrNO2 |
| InChI | InChI=1S/C13H16BrNO2/c1-3-15(4-2)8-7-13(17)11-9-10(14)5-6-12(11)16/h5-9,16H,3-4H2,1-2H3/b8-7+ |
| InChIKey | WGCAWTUPPWTJJF-BQYQJAHWSA-N |
| SMILES | C1(Br)=CC=C(C(=C1)C(\C=C\N(CC)CC)=O)O |