| SpectraBase Spectrum ID |
2PobfMb2FqS |
| Name |
(R)-N-(2-Chlorobenzyl)-1-((2-methylbenzoyl)-D-prolyl)pyrrolidine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.181919471 u |
| Formula |
C25H28ClN3O3 |
| InChI |
InChI=1S/C25H28ClN3O3/c1-17-8-2-4-10-19(17)24(31)29-15-7-13-22(29)25(32)28-14-6-12-21(28)23(30)27-16-18-9-3-5-11-20(18)26/h2-5,8-11,21-22H,6-7,12-16H2,1H3,(H,27,30)/t21-,22-/m1/s1 |
| InChIKey |
YCLVGNGXROYFHV-FGZHOGPDSA-N |
| Molecular Weight |
453.970 g/mol |
| SMILES |
[C@@]1(N(CCC1)C([C@@]1(N(CCC1)C(C1=C(C=CC=C1)C)=O)[H])=O)(C(=O)NCC1=C(C=CC=C1)Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911274 |
