| SpectraBase Spectrum ID |
1lUMxyRNYZZ |
| Name |
3-Hydroxy-1-(2-hydroxy-ethyl)-4-(4-methyl-benzoyl)-5-(4-nitro-phenyl)-1,5-dihydro-pyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.116486302 u |
| Formula |
C20H18N2O6 |
| InChI |
InChI=1S/C20H18N2O6/c1-12-2-4-14(5-3-12)18(24)16-17(21(10-11-23)20(26)19(16)25)13-6-8-15(9-7-13)22(27)28/h2-9,17,23,25H,10-11H2,1H3 |
| InChIKey |
HLORPWLGJJFNHM-UHFFFAOYSA-N |
| Molecular Weight |
382.372 g/mol |
| SMILES |
C1(=C(C(=O)N(C1C1=CC=C(N(=O)=O)C=C1)CCO)O)C(C1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8052 |
