SpectraBase Spectrum ID |
4DQhpeKuhry |
Name |
4H-Pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid, 1,2-dihydro-6-hydroxy-4-oxo-, N'-[(1,2-dihydro-6-hydroxy-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]hydrazide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
458.122634310 u |
Formula |
C24H18N4O6 |
InChI |
InChI=1S/C24H18N4O6/c29-19-13-5-1-3-11-7-9-27(17(11)13)23(33)15(19)21(31)25-26-22(32)16-20(30)14-6-2-4-12-8-10-28(18(12)14)24(16)34/h1-6,29-30H,7-10H2,(H,25,31)(H,26,32) |
InChIKey |
MZTMCLLGRCAUFV-UHFFFAOYSA-N |
Molecular Weight |
458.430 g/mol |
SMILES |
C=1(C(N2CCC3=C2C(C1O)=CC=C3)=O)C(NNC(C=1C(N2CCC3=C2C(C1O)=CC=C3)=O)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96293 |