SpectraBase Spectrum ID |
7oYXDNWldvz |
Name |
10-Chloranyl-1-(3-methoxyazetidin-1-yl)carbonyl-3-phenyl-benzo[A]quinolizin-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
418.108420177 u |
Formula |
C24H19ClN2O3 |
InChI |
InChI=1S/C24H19ClN2O3/c1-30-18-13-26(14-18)23(28)21-12-20(15-5-3-2-4-6-15)24(29)27-10-9-16-7-8-17(25)11-19(16)22(21)27/h2-12,18H,13-14H2,1H3 |
InChIKey |
DMSVZKZVUHATIB-UHFFFAOYSA-N |
Molecular Weight |
418.880 g/mol |
SMILES |
C1(=C2N(C=CC=3C2=CC(=CC3)Cl)C(C(=C1)C=1C=CC=CC1)=O)C(N1CC(C1)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865223 |