| SpectraBase Compound ID | mBMYR6YSL0 |
|---|---|
| InChI | InChI=1S/C13H8BrClN2O3/c14-9-3-1-2-8(6-9)13(18)16-11-5-4-10(15)7-12(11)17(19)20/h1-7H,(H,16,18) |
| InChIKey | DIMXUYMKZKFLDL-UHFFFAOYSA-N |
| Mol Weight | 355.58 g/mol |
| Molecular Formula | C13H8BrClN2O3 |
| Exact Mass | 353.940683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GS9P0G7SogK |
|---|---|
| Name | 3-Bromo-N-(4-chloro-2-nitro-phenyl)-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.940682823 u |
| Formula | C13H8BrClN2O3 |
| InChI | InChI=1S/C13H8BrClN2O3/c14-9-3-1-2-8(6-9)13(18)16-11-5-4-10(15)7-12(11)17(19)20/h1-7H,(H,16,18) |
| InChIKey | DIMXUYMKZKFLDL-UHFFFAOYSA-N |
| Molecular Weight | 355.575 g/mol |
| SMILES | C1(=C(C=C(C=C1)Cl)N(=O)=O)NC(=O)C1=CC(=CC=C1)Br |