| SpectraBase Spectrum ID |
4K071YFaDjf |
| Name |
10-Chloro-1-[(cis-2,6-dimethylmirpholin-4-yl)carbonyl]-6,7-dihydro-3-phenyl-4H-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 |
448.155370370 u |
| Formula |
C26H25ClN2O3 |
| InChI |
InChI=1S/C26H25ClN2O3/c1-16-14-28(15-17(2)32-16)25(30)23-13-22(18-6-4-3-5-7-18)26(31)29-11-10-19-8-9-20(27)12-21(19)24(23)29/h3-9,12-13,16-17H,10-11,14-15H2,1-2H3/t16-,17+ |
| InChIKey |
CTEDQRZTQAXZKG-CALCHBBNSA-N |
| Molecular Weight |
448.950 g/mol |
| SMILES |
C1(=C2N(CCC=3C2=CC(=CC3)Cl)C(C(=C1)C1=CC=CC=C1)=O)C(N1C[C@](C)(O[C@@](C1)(C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854964 |
![10-Chloro-1-[(cis-2,6-dimethylmirpholin-4-yl)carbonyl]-6,7-dihydro-3-phenyl-4H-benzo[a]quinolizin-4-one](/api/spectrum/4K071YFaDjf/structure.png?h=300&w=458 "10-Chloro-1-[(cis-2,6-dimethylmirpholin-4-yl)carbonyl]-6,7-dihydro-3-phenyl-4H-benzo[a]quinolizin-4-one")
