| SpectraBase Compound ID | EfD6p7iZidj |
|---|---|
| InChI | InChI=1S/C11H9NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3 |
| InChIKey | CILJSZLWPHTUIP-UHFFFAOYSA-N |
| Mol Weight | 187.2 g/mol |
| Molecular Formula | C11H9NO2 |
| Exact Mass | 187.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CHibtW2mTp |
|---|---|
| Name | 2-Quinolinecarboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.063328532 u |
| Formula | C11H9NO2 |
| InChI | InChI=1S/C11H9NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3 |
| InChIKey | CILJSZLWPHTUIP-UHFFFAOYSA-N |
| Molecular Weight | 187.198 g/mol |
| SMILES | C1=CC(=NC=2C=CC=CC12)C(OC)=O |