| SpectraBase Spectrum ID |
Kkt2ENAFoBg |
| Name |
(S)-1-(Benzoyl-L-prolyl)-N-benzyl-N-methylpyrrolidine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.220891803 u |
| Formula |
C25H29N3O3 |
| InChI |
InChI=1S/C25H29N3O3/c1-26(18-19-10-4-2-5-11-19)24(30)21-14-8-17-28(21)25(31)22-15-9-16-27(22)23(29)20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-18H2,1H3/t21-,22-/m0/s1 |
| InChIKey |
RLEHQGVAWUPPSO-VXKWHMMOSA-N |
| Molecular Weight |
419.525 g/mol |
| SMILES |
[C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC=CC=C1)=O)[H])=O)(C(=O)N(C)CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921173 |
