| SpectraBase Compound ID | APamk7Z4Lkl |
|---|---|
| InChI | InChI=1S/C12H10ClNO3/c1-2-14-6-8(12(16)17)11(15)7-4-3-5-9(13)10(7)14/h3-6H,2H2,1H3,(H,16,17) |
| InChIKey | IYRPUFPMXWKUFD-UHFFFAOYSA-N |
| Mol Weight | 251.67 g/mol |
| Molecular Formula | C12H10ClNO3 |
| Exact Mass | 251.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bm09AtgktF |
|---|---|
| Name | 8-Chloro-1-ethyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.034920883 u |
| Formula | C12H10ClNO3 |
| InChI | InChI=1S/C12H10ClNO3/c1-2-14-6-8(12(16)17)11(15)7-4-3-5-9(13)10(7)14/h3-6H,2H2,1H3,(H,16,17) |
| InChIKey | IYRPUFPMXWKUFD-UHFFFAOYSA-N |
| Molecular Weight | 251.669 g/mol |
| SMILES | C1(Cl)=C2C(=CC=C1)C(=O)C(=CN2CC)C(=O)O |