| SpectraBase Compound ID | CdZDeXxjmqA |
|---|---|
| InChI | InChI=1S/C16H9Br2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21) |
| InChIKey | JTOIYLWKTKYNBG-UHFFFAOYSA-N |
| Mol Weight | 407.06 g/mol |
| Molecular Formula | C16H9Br2NO2 |
| Exact Mass | 404.900005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Etj2AKuPHWs |
|---|---|
| Name | 6-Bromo-2-(p-bromophenyl)cinchoninic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.900004532 u |
| Formula | C16H9Br2NO2 |
| InChI | InChI=1S/C16H9Br2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21) |
| InChIKey | JTOIYLWKTKYNBG-UHFFFAOYSA-N |
| Molecular Weight | 407.061 g/mol |
| SMILES | OC(C1=CC(=NC=2C=CC(=CC12)Br)C=1C=CC(=CC1)Br)=O |