| SpectraBase Spectrum ID |
DkXvezp6E2Y |
| Name |
2-[6-(4-Phenyl-piperazin-1-yl)-hexyl]-benzo[de]isoquinoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.241627248 u |
| Formula |
C28H31N3O2 |
| InChI |
InChI=1S/C28H31N3O2/c32-27-24-14-8-10-22-11-9-15-25(26(22)24)28(33)31(27)17-7-2-1-6-16-29-18-20-30(21-19-29)23-12-4-3-5-13-23/h3-5,8-15H,1-2,6-7,16-21H2 |
| InChIKey |
YRLGDQQCBAODSH-UHFFFAOYSA-N |
| Molecular Weight |
441.575 g/mol |
| SMILES |
C12=CC=CC3=C2C(=CC=C3)C(N(C1=O)CCCCCCN1CCN(CC1)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80421 |
![2-[6-(4-Phenyl-piperazin-1-yl)-hexyl]-benzo[de]isoquinoline-1,3-dione](/api/spectrum/DkXvezp6E2Y/structure.png?h=300&w=458 "2-[6-(4-Phenyl-piperazin-1-yl)-hexyl]-benzo[de]isoquinoline-1,3-dione")
