| SpectraBase Spectrum ID |
4wdXtLZpppH |
| Name |
(R)-1-(Benzoyl-D-prolyl)-N-(2-chlorobenzyl)pyrrolidine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.166269406 u |
| Formula |
C24H26ClN3O3 |
| InChI |
InChI=1S/C24H26ClN3O3/c25-19-11-5-4-10-18(19)16-26-22(29)20-12-6-14-27(20)24(31)21-13-7-15-28(21)23(30)17-8-2-1-3-9-17/h1-5,8-11,20-21H,6-7,12-16H2,(H,26,29)/t20-,21-/m1/s1 |
| InChIKey |
LUCMCYNIEONQNN-NHCUHLMSSA-N |
| Molecular Weight |
439.943 g/mol |
| SMILES |
[C@@]1(N(CCC1)C([C@@]1(N(CCC1)C(C1=CC=CC=C1)=O)[H])=O)(C(=O)NCC1=C(C=CC=C1)Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917311 |
