| SpectraBase Spectrum ID |
JhalGDpvP5m |
| Name |
5-Chloro-1,4-dihydro-6,7-dihydroxy-1-ethyl-4-oxo-3-quinolinecarboxylic acid, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.045879488 u |
| Formula |
C16H14ClNO7 |
| InChI |
InChI=1S/C16H14ClNO7/c1-4-18-6-9(16(22)23)14(21)12-10(18)5-11(24-7(2)19)15(13(12)17)25-8(3)20/h5-6H,4H2,1-3H3,(H,22,23) |
| InChIKey |
POYBQGJYDLICMZ-UHFFFAOYSA-N |
| Molecular Weight |
367.741 g/mol |
| SMILES |
OC(C1=CN(C=2C=C(C(=C(C2C1=O)Cl)OC(C)=O)OC(=O)C)CC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.798023 |
