| SpectraBase Compound ID | HQN1JepZYvf |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-2-7-14-8-10(13(16)17)12(15)9-5-3-4-6-11(9)14/h3-6,8H,2,7H2,1H3,(H,16,17) |
| InChIKey | YUXVAHFIXDDTAF-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 92aQeGzNFNu |
|---|---|
| Name | 4-oxo-1-Propyl-1,4-dihydro-3-quinolinecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c1-2-7-14-8-10(13(16)17)12(15)9-5-3-4-6-11(9)14/h3-6,8H,2,7H2,1H3,(H,16,17) |
| InChIKey | YUXVAHFIXDDTAF-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C1=2N(C=C(C(C2C=CC=C1)=O)C(=O)O)CCC |