| SpectraBase Spectrum ID |
GDXIxWYYrtc |
| Name |
(S)-Ethyl 2-(1-(4-fluorobenzyl)-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 |
317.106336158 u |
| Formula |
C17H16FNO4 |
| InChI |
InChI=1S/C17H16FNO4/c1-3-13(17(22)23-4-2)14-9-15(20)19(16(14)21)10-11-5-7-12(18)8-6-11/h5-8,14H,1,4,9-10H2,2H3/t14-/m0/s1 |
| InChIKey |
CCZWISWBWOLZIA-AWEZNQCLSA-N |
| Molecular Weight |
317.316 g/mol |
| SMILES |
[C@]1(C(=O)N(CC2=CC=C(C=C2)F)C(=O)C1)(C(C(OCC)=O)=C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811738 |
