| SpectraBase Spectrum ID |
tg2uotu4L4 |
| Name |
(4S,5S)-1-Cinnamoyl-5-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.189257321 u |
| Formula |
C25H26N2O4 |
| InChI |
InChI=1S/C25H26N2O4/c1-31-20-12-10-19(11-13-20)24-21(25(30)26-15-5-6-16-26)17-23(29)27(24)22(28)14-9-18-7-3-2-4-8-18/h2-4,7-14,21,24H,5-6,15-17H2,1H3/b14-9+/t21-,24+/m0/s1 |
| InChIKey |
WMJBYAGVNKDXSE-BUKDDLMISA-N |
| Molecular Weight |
418.493 g/mol |
| SMILES |
C1(N([C@@]([C@](C1)(C(=O)N1CCCC1)[H])(C1=CC=C(C=C1)OC)[H])C(\C=C\C1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939981 |
