| SpectraBase Compound ID | Jb8Y6xMhpIM |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-7-3-4-9-10(12(14)15)6-8(2)13-11(9)5-7/h3-6H,1-2H3,(H,14,15) |
| InChIKey | ICCQYBHJLONXFL-UHFFFAOYSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mxS8K3MKVQ |
|---|---|
| Name | 4-Quinolinecarboxylic acid, 2,7-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c1-7-3-4-9-10(12(14)15)6-8(2)13-11(9)5-7/h3-6H,1-2H3,(H,14,15) |
| InChIKey | ICCQYBHJLONXFL-UHFFFAOYSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | OC(=O)C=1C2=C(N=C(C1)C)C=C(C=C2)C |