| SpectraBase Spectrum ID |
6iwtflzrq2V |
| Name |
1-(2,5-Diketo-1-m-phenetyl-pyrrolidin-3-yl)-4-piperidino-isonipecotamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.242355522 u |
| Formula |
C23H32N4O4 |
| InChI |
InChI=1S/C23H32N4O4/c1-2-31-18-8-6-7-17(15-18)27-20(28)16-19(21(27)29)25-13-9-23(10-14-25,22(24)30)26-11-4-3-5-12-26/h6-8,15,19H,2-5,9-14,16H2,1H3,(H2,24,30) |
| InChIKey |
MQUKBURVDUFVCO-UHFFFAOYSA-N |
| Molecular Weight |
428.533 g/mol |
| SMILES |
C1CCN(C2(CCN(C3C(N(C(C3)=O)C=3C=C(OCC)C=CC3)=O)CC2)C(=O)N)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826351 |
