| SpectraBase Compound ID | J14kMLMF31s |
|---|---|
| InChI | InChI=1S/C20H13NO2/c22-20(23)17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H,(H,22,23) |
| InChIKey | DULGCYHBYNNEPB-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C20H13NO2 |
| Exact Mass | 299.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQNDQYSBOrF |
|---|---|
| Name | 2-Phenyl-7,8-benzocinchoninic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.094628661 u |
| Formula | C20H13NO2 |
| InChI | InChI=1S/C20H13NO2/c22-20(23)17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H,(H,22,23) |
| InChIKey | DULGCYHBYNNEPB-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C=CC1=C2N=C(C=C1C(=O)O)C1=CC=CC=C1 |