| SpectraBase Spectrum ID |
TXh2hAnxGN |
| Name |
N-(1-Benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.171354787 u |
| Formula |
C21H26ClN3O2 |
| InChI |
InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26) |
| InChIKey |
KRVOJOCLBAAKSJ-UHFFFAOYSA-N |
| Molecular Weight |
387.911 g/mol |
| SMILES |
CNC1=C(Cl)C=C(C(=C1)OC)C(NC1CCN(C1C)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938571 |
