| SpectraBase Spectrum ID |
4PQlRQFOb5R |
| Name |
(S)-Ethyl 2-(1-(4-methoxybenzyl)-2,5-dioxopyrrolidin-3-yl)buta-2,3-dienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.126322711 u |
| Formula |
C18H19NO5 |
| InChI |
InChI=1S/C18H19NO5/c1-4-14(18(22)24-5-2)15-10-16(20)19(17(15)21)11-12-6-8-13(23-3)9-7-12/h6-9,15H,1,5,10-11H2,2-3H3/t15-/m0/s1 |
| InChIKey |
GVFSFTDNHBQDIR-HNNXBMFYSA-N |
| Molecular Weight |
329.352 g/mol |
| SMILES |
[C@@]1(CC(=O)N(CC2=CC=C(C=C2)OC)C1=O)(C(C(OCC)=O)=C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851729 |
