| SpectraBase Spectrum ID |
6ywwO6fgLkM |
| Name |
1-Butyl -7-chloro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolineacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.076785695 u |
| Formula |
C15H16ClNO4 |
| InChI |
InChI=1S/C15H16ClNO4/c1-2-3-6-17-12-7-9(16)4-5-10(12)14(20)11(15(17)21)8-13(18)19/h4-5,7,20H,2-3,6,8H2,1H3,(H,18,19) |
| InChIKey |
RAHYOPYMPUZZDO-UHFFFAOYSA-N |
| SMILES |
OC=1C=2C=CC(=CC2N(C(C1CC(O)=O)=O)CCCC)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.758138 |
