| SpectraBase Spectrum ID |
C4KFNZOBSeO |
| Name |
Diethyl 2-(1-benzyl-trans-4-(1-bromovinyl)-2-oxopyrrolidin-3-yl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.083785872 u |
| Formula |
C20H24BrNO5 |
| InChI |
InChI=1S/C20H24BrNO5/c1-4-26-19(24)17(20(25)27-5-2)16-15(13(3)21)12-22(18(16)23)11-14-9-7-6-8-10-14/h6-10,15-17H,3-5,11-12H2,1-2H3/t15-,16+/m0/s1 |
| InChIKey |
PEYDGHIXBKRQBI-JKSUJKDBSA-N |
| Molecular Weight |
438.318 g/mol |
| SMILES |
[C@@]1(C(=C)Br)([H])CN(C(=O)[C@]1(C(C(=O)OCC)C(OCC)=O)[H])CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856558 |
