| SpectraBase Spectrum ID |
IgCVRiBEFOY |
| Name |
4-[3'-(4''-<3'''-chlorophenyl>-1''-piperazinyl)propyl]-1H-(2,4)-benzoxazin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.155704723 u |
| Formula |
C21H24ClN3O2 |
| InChI |
InChI=1S/C21H24ClN3O2/c22-18-6-3-7-19(15-18)24-13-11-23(12-14-24)9-4-10-25-20-8-2-1-5-17(20)16-27-21(25)26/h1-3,5-8,15H,4,9-14,16H2 |
| InChIKey |
OSDPPPFFNGECSS-UHFFFAOYSA-N |
| Molecular Weight |
385.895 g/mol |
| SMILES |
C1(N(C=2C(CO1)=CC=CC2)CCCN1CCN(CC1)C1=CC(Cl)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913185 |
![4-[3'-(4"-<3"'-Chlorophenyl>-1"-piperazinyl)propyl]-1H-(2,4)-benzoxazin-3-one](/api/spectrum/IgCVRiBEFOY/structure.png?h=300&w=458 "4-[3'-(4\"-<3\"'-Chlorophenyl>-1\"-piperazinyl)propyl]-1H-(2,4)-benzoxazin-3-one")
