| SpectraBase Spectrum ID |
EJxGqf4klT4 |
| Name |
(4R,5S)-1-Benzoyl-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 |
392.173607257 u |
| Formula |
C23H24N2O4 |
| InChI |
InChI=1S/C23H24N2O4/c1-29-18-11-9-16(10-12-18)21-19(23(28)24-13-5-6-14-24)15-20(26)25(21)22(27)17-7-3-2-4-8-17/h2-4,7-12,19,21H,5-6,13-15H2,1H3/t19-,21-/m1/s1 |
| InChIKey |
NVZPAXWNFWTYDG-TZIWHRDSSA-N |
| Molecular Weight |
392.455 g/mol |
| SMILES |
C1(N([C@@]([C@@](C1)(C(=O)N1CCCC1)[H])(C1=CC=C(C=C1)OC)[H])C(C1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804286 |
