| SpectraBase Compound ID | LGLIKIM8h7k |
|---|---|
| InChI | InChI=1S/C15H10BrCl2NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7+ |
| InChIKey | WOVNMQVPXPZGDE-BQYQJAHWSA-N |
| Mol Weight | 371.06 g/mol |
| Molecular Formula | C15H10BrCl2NO |
| Exact Mass | 368.932282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeFCbIToQNV |
|---|---|
| Name | (E)-1-(4-Bromophenyl)-3-(2,4-dichloroanilino)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.932282345 u |
| Formula | C15H10BrCl2NO |
| InChI | InChI=1S/C15H10BrCl2NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7+ |
| InChIKey | WOVNMQVPXPZGDE-BQYQJAHWSA-N |
| Molecular Weight | 371.061 g/mol |
| SMILES | C=1(C=C(Cl)C=CC1N\C=C\C(C1=CC=C(C=C1)Br)=O)Cl |