| SpectraBase Spectrum ID |
FvbuiR178Ua |
| Name |
(S)-1-((4-Chlorobenzoyl)-L-prolyl)-N-(2,4-difluorobenzyl)pyrrolidine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.147425668 u |
| Formula |
C24H24ClF2N3O3 |
| InChI |
InChI=1S/C24H24ClF2N3O3/c25-17-8-5-15(6-9-17)23(32)30-12-2-4-21(30)24(33)29-11-1-3-20(29)22(31)28-14-16-7-10-18(26)13-19(16)27/h5-10,13,20-21H,1-4,11-12,14H2,(H,28,31)/t20-,21-/m0/s1 |
| InChIKey |
HZFOUIVPDLXHLE-SFTDATJTSA-N |
| Molecular Weight |
475.924 g/mol |
| SMILES |
[C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC=C(C=C1)Cl)=O)[H])=O)(C(=O)NCC1=C(C=C(C=C1)F)F)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905843 |
