![2-[4-Chlorophenyl]-7,8-benzocinchoninic acid](/api/spectrum/3go4CIlBOyB/structure.png?h=300&w=458 "2-[4-Chlorophenyl]-7,8-benzocinchoninic acid")
| SpectraBase Compound ID | 1QKjEUCLN7X |
|---|---|
| InChI | InChI=1S/C20H12ClNO2/c21-14-8-5-13(6-9-14)18-11-17(20(23)24)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,(H,23,24) |
| InChIKey | VBIQMIMUFZXRMM-UHFFFAOYSA-N |
| Mol Weight | 333.77 g/mol |
| Molecular Formula | C20H12ClNO2 |
| Exact Mass | 333.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3go4CIlBOyB |
|---|---|
| Name | 2-[4-Chlorophenyl]-7,8-benzocinchoninic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.055656328 u |
| Formula | C20H12ClNO2 |
| InChI | InChI=1S/C20H12ClNO2/c21-14-8-5-13(6-9-14)18-11-17(20(23)24)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,(H,23,24) |
| InChIKey | VBIQMIMUFZXRMM-UHFFFAOYSA-N |
| Molecular Weight | 333.774 g/mol |
| SMILES | C1=CC2=C(C=C(N=C2C2=C1C=CC=C2)C1=CC=C(C=C1)Cl)C(=O)O |