SpectraBase Spectrum ID |
JE2L5VBzCnq |
Name |
10-Chloranyl-1-morpholin-4-ylcarbonyl-3-phenyl-6,7-dihydrobenzo[A]quinolizin-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.124070241 u |
Formula |
C24H21ClN2O3 |
InChI |
InChI=1S/C24H21ClN2O3/c25-18-7-6-17-8-9-27-22(19(17)14-18)21(23(28)26-10-12-30-13-11-26)15-20(24(27)29)16-4-2-1-3-5-16/h1-7,14-15H,8-13H2 |
InChIKey |
BNGLWNIBADVWNR-UHFFFAOYSA-N |
Molecular Weight |
420.896 g/mol |
SMILES |
C1(=C2N(CCC=3C2=CC(=CC3)Cl)C(C(=C1)C1=CC=CC=C1)=O)C(N1CCOCC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901808 |