| SpectraBase Compound ID | 5JnMhhEVlTo |
|---|---|
| InChI | InChI=1S/C18H15NO2/c1-11-7-8-12(2)14(9-11)17-10-15(18(20)21)13-5-3-4-6-16(13)19-17/h3-10H,1-2H3,(H,20,21) |
| InChIKey | QPRKYBSLBFZYHE-UHFFFAOYSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C18H15NO2 |
| Exact Mass | 277.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gbTYA5WdPg |
|---|---|
| Name | Quinoline-4-carboxylic acid, 2-(2,5-dimethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.110278725 u |
| Formula | C18H15NO2 |
| InChI | InChI=1S/C18H15NO2/c1-11-7-8-12(2)14(9-11)17-10-15(18(20)21)13-5-3-4-6-16(13)19-17/h3-10H,1-2H3,(H,20,21) |
| InChIKey | QPRKYBSLBFZYHE-UHFFFAOYSA-N |
| SMILES | C1(=NC2=CC=CC=C2C(=C1)C(=O)O)C1=C(C=CC(=C1)C)C |