| SpectraBase Compound ID | LtUTUAvyc2L |
|---|---|
| InChI | InChI=1S/C13H8BrCl2N/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-8H/b17-8+ |
| InChIKey | VMLIQUBRQZTNBD-CAOOACKPSA-N |
| Mol Weight | 329.02 g/mol |
| Molecular Formula | C13H8BrCl2N |
| Exact Mass | 326.921718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DzhZ3ta05O |
|---|---|
| Name | p-Bromo-N-(2,4-dichlorobenzylidene)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.921717662 u |
| Formula | C13H8BrCl2N |
| InChI | InChI=1S/C13H8BrCl2N/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-8H/b17-8+ |
| InChIKey | VMLIQUBRQZTNBD-CAOOACKPSA-N |
| Molecular Weight | 329.024 g/mol |
| SMILES | C1=CC(=CC=C1Br)\N=C\C=1C(=CC(=CC1)Cl)Cl |