| SpectraBase Compound ID | Ib69DDbMw9L |
|---|---|
| InChI | InChI=1S/C16H18ClNO4/c1-2-3-8-18-13-9-10(17)4-5-11(13)15(21)12(16(18)22)6-7-14(19)20/h4-5,9,21H,2-3,6-8H2,1H3,(H,19,20) |
| InChIKey | HLUPBYHXTWTVHS-UHFFFAOYSA-N |
| Mol Weight | 323.78 g/mol |
| Molecular Formula | C16H18ClNO4 |
| Exact Mass | 323.092436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2E5JRT7TTfn |
|---|---|
| Name | 1-Butyl-7-chloro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinepropionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.092435760 u |
| Formula | C16H18ClNO4 |
| InChI | InChI=1S/C16H18ClNO4/c1-2-3-8-18-13-9-10(17)4-5-11(13)15(21)12(16(18)22)6-7-14(19)20/h4-5,9,21H,2-3,6-8H2,1H3,(H,19,20) |
| InChIKey | HLUPBYHXTWTVHS-UHFFFAOYSA-N |
| SMILES | OC1=C(CCC(=O)O)C(N(C=2C=C(C=CC12)Cl)CCCC)=O |