| SpectraBase Spectrum ID |
5ZPC7D5Pn7h |
| Name |
1-Ethyl-4-keto-5,8-dimethoxy-quinoline-3-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.126322711 u |
| Formula |
C16H19NO5 |
| InChI |
InChI=1S/C16H19NO5/c1-5-17-9-10(16(19)22-6-2)15(18)13-11(20-3)7-8-12(21-4)14(13)17/h7-9H,5-6H2,1-4H3 |
| InChIKey |
SMNUGBYAAWGABI-UHFFFAOYSA-N |
| Molecular Weight |
305.330 g/mol |
| SMILES |
C=1(C(C=2C(=CC=C(C2N(C1)CC)OC)OC)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800766 |
