| SpectraBase Spectrum ID |
FSJ7ujyvr61 |
| Name |
1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-hydroxy-4-(3-methoxy-benzoyl)-5-pyridin-3-yl-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 |
474.179086559 u |
| Formula |
C27H26N2O6 |
| InChI |
InChI=1S/C27H26N2O6/c1-33-20-8-4-6-18(15-20)25(30)23-24(19-7-5-12-28-16-19)29(27(32)26(23)31)13-11-17-9-10-21(34-2)22(14-17)35-3/h4-10,12,14-16,24,31H,11,13H2,1-3H3 |
| InChIKey |
SCJGGDKDSOFJNA-UHFFFAOYSA-N |
| Molecular Weight |
474.513 g/mol |
| SMILES |
C1(=C(C(=O)N(C1C=1C=NC=CC1)CCC1=CC(OC)=C(C=C1)OC)O)C(C=1C=C(OC)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899648 |
![1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-hydroxy-4-(3-methoxy-benzoyl)-5-pyridin-3-yl-1,5-dihydro-pyrrol-2-one](/api/spectrum/FSJ7ujyvr61/structure.png?h=300&w=458 "1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-hydroxy-4-(3-methoxy-benzoyl)-5-pyridin-3-yl-1,5-dihydro-pyrrol-2-one")
