| SpectraBase Spectrum ID |
LacpWdwq69X |
| Name |
2-(2,6-Dioxo-3,4,5,6-tetrahydro-2H-[1,3']bipyridinyl-3-ylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.190319948 u |
| Formula |
C20H26N4O5 |
| InChI |
InChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)23-11-5-7-15(23)17(26)22-14-8-9-16(25)24(18(14)27)13-6-4-10-21-12-13/h4,6,10,12,14-15H,5,7-9,11H2,1-3H3,(H,22,26) |
| InChIKey |
YMJJQDQVAFIWIZ-UHFFFAOYSA-N |
| Molecular Weight |
402.451 g/mol |
| SMILES |
C1(N(C(CCC1NC(C1N(C(OC(C)(C)C)=O)CCC1)=O)=O)C1=CN=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836229 |
![2-(2,6-Dioxo-3,4,5,6-tetrahydro-2H-[1,3']bipyridinyl-3-ylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester](/api/spectrum/LacpWdwq69X/structure.png?h=300&w=458 "2-(2,6-Dioxo-3,4,5,6-tetrahydro-2H-[1,3']bipyridinyl-3-ylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester")
