| SpectraBase Spectrum ID |
13QKhXM7zV6 |
| Name |
3-(4'-Acetyl-[1,4']bipiperidinyl-1'-yl)-1-(4-chloro-benzyl)-pyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.197569535 u |
| Formula |
C23H30ClN3O3 |
| InChI |
InChI=1S/C23H30ClN3O3/c1-17(28)23(26-11-3-2-4-12-26)9-13-25(14-10-23)20-15-21(29)27(22(20)30)16-18-5-7-19(24)8-6-18/h5-8,20H,2-4,9-16H2,1H3 |
| InChIKey |
AYQXHOQXUUHWMB-UHFFFAOYSA-N |
| Molecular Weight |
431.964 g/mol |
| SMILES |
C1CCN(C2(CCN(C3C(N(C(C3)=O)CC=3C=CC(=CC3)Cl)=O)CC2)C(=O)C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921136 |
![3-(4'-Acetyl-[1,4']bipiperidinyl-1'-yl)-1-(4-chloro-benzyl)-pyrrolidine-2,5-dione](/api/spectrum/13QKhXM7zV6/structure.png?h=300&w=458 "3-(4'-Acetyl-[1,4']bipiperidinyl-1'-yl)-1-(4-chloro-benzyl)-pyrrolidine-2,5-dione")
