![5-Bromo-2-[(2-chlorobenzoyl)amino]benzoic acid](/api/spectrum/3xi6hk8yccQ/structure.png?h=300&w=458 "5-Bromo-2-[(2-chlorobenzoyl)amino]benzoic acid")
| SpectraBase Compound ID | JbCG4GEx7Pr |
|---|---|
| InChI | InChI=1S/C14H9BrClNO3/c15-8-5-6-12(10(7-8)14(19)20)17-13(18)9-3-1-2-4-11(9)16/h1-7H,(H,17,18)(H,19,20) |
| InChIKey | KCEOISZLTRMNGB-UHFFFAOYSA-N |
| Mol Weight | 354.59 g/mol |
| Molecular Formula | C14H9BrClNO3 |
| Exact Mass | 352.945434 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xi6hk8yccQ |
|---|---|
| Name | 5-Bromo-2-[(2-chlorobenzoyl)amino]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.945433851 u |
| Formula | C14H9BrClNO3 |
| InChI | InChI=1S/C14H9BrClNO3/c15-8-5-6-12(10(7-8)14(19)20)17-13(18)9-3-1-2-4-11(9)16/h1-7H,(H,17,18)(H,19,20) |
| InChIKey | KCEOISZLTRMNGB-UHFFFAOYSA-N |
| Molecular Weight | 354.587 g/mol |
| SMILES | C1(=C(NC(C2=C(C=CC=C2)Cl)=O)C=CC(=C1)Br)C(=O)O |