| SpectraBase Spectrum ID |
8gNsaaead3A |
| Name |
3-{4-[2-(4-Ethylpiperidin-1-yl)ethyl]piperidin-1-yl}-1-(4-propoxyphenyl)pyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.314792189 u |
| Formula |
C27H41N3O3 |
| InChI |
InChI=1S/C27H41N3O3/c1-3-19-33-24-7-5-23(6-8-24)30-26(31)20-25(27(30)32)29-17-12-22(13-18-29)11-16-28-14-9-21(4-2)10-15-28/h5-8,21-22,25H,3-4,9-20H2,1-2H3 |
| InChIKey |
JIRJJKJMIGSPJU-UHFFFAOYSA-N |
| Molecular Weight |
455.643 g/mol |
| SMILES |
C1(N(C2=CC=C(C=C2)OCCC)C(CC1N1CCC(CC1)CCN1CCC(CC)CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910242 |
![3-{4-[2-(4-Ethylpiperidin-1-yl)ethyl]piperidin-1-yl}-1-(4-propoxyphenyl)pyrrolidine-2,5-dione](/api/spectrum/8gNsaaead3A/structure.png?h=300&w=458 "3-{4-[2-(4-Ethylpiperidin-1-yl)ethyl]piperidin-1-yl}-1-(4-propoxyphenyl)pyrrolidine-2,5-dione")
