| SpectraBase Spectrum ID |
IL8HMbnI9h9 |
| Name |
(S)-Ethyl 2-(2,5-dioxo-1-phenylpyrrolidin-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 |
285.100107963 u |
| Formula |
C16H15NO4 |
| InChI |
InChI=1S/C16H15NO4/c1-3-12(16(20)21-4-2)13-10-14(18)17(15(13)19)11-8-6-5-7-9-11/h5-9,13H,1,4,10H2,2H3/t13-/m0/s1 |
| InChIKey |
REYJMYHGPNTQAO-ZDUSSCGKSA-N |
| SMILES |
[C@]1(C(=O)N(C2=CC=CC=C2)C(C1)=O)(C(=C=C)C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812214 |
