| SpectraBase Spectrum ID |
FUo8xuQi7QJ |
| Name |
6-(Diethylamino)-1-ethyl-4,5,8-triketo-quinoline-3-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.121571683 u |
| Formula |
C16H18N2O5 |
| InChI |
InChI=1S/C16H18N2O5/c1-4-17(5-2)10-7-11(19)13-12(15(10)21)14(20)9(16(22)23)8-18(13)6-3/h7-8H,4-6H2,1-3H3,(H,22,23) |
| InChIKey |
QETGOLYBSWYEOJ-UHFFFAOYSA-N |
| Molecular Weight |
318.329 g/mol |
| SMILES |
C1=2C(C(C(=O)O)=CN(C2C(=O)C=C(C1=O)N(CC)CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861487 |
