| SpectraBase Spectrum ID |
4NVDduF7TvZ |
| Name |
4-Ketoquinoline-1,3-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.095022582 u |
| Formula |
C15H15NO5 |
| InChI |
InChI=1S/C15H15NO5/c1-3-20-14(18)11-9-16(15(19)21-4-2)12-8-6-5-7-10(12)13(11)17/h5-9H,3-4H2,1-2H3 |
| InChIKey |
OGFYPVFTLIFHEL-UHFFFAOYSA-N |
| Molecular Weight |
289.287 g/mol |
| SMILES |
C1(=CN(C(=O)OCC)C2=C(C1=O)C=CC=C2)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966792 |
