| SpectraBase Spectrum ID |
7bD9g8B152W |
| Name |
1-Benzyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.152871811 u |
| Formula |
C22H22N2O5 |
| InChI |
InChI=1S/C22H22N2O5/c1-22(2,3)20(26)17-18(15-9-11-16(12-10-15)24(28)29)23(21(27)19(17)25)13-14-7-5-4-6-8-14/h4-12,18,25H,13H2,1-3H3 |
| InChIKey |
MPUVWXCLEQJSFQ-UHFFFAOYSA-N |
| Molecular Weight |
394.427 g/mol |
| SMILES |
C1(=C(C(=O)N(C1C=1C=CC(N(=O)=O)=CC1)CC=1C=CC=CC1)O)C(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956649 |
