| SpectraBase Spectrum ID |
3qNFBVFmR27 |
| Name |
3-(2',3',4'-Trimethoxybenzylidene)-1-benzyl-1,3-dihydro-5-(p-methylphenyl)-2H-pyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.194008349 u |
| Formula |
C28H27NO4 |
| InChI |
InChI=1S/C28H27NO4/c1-19-10-12-21(13-11-19)24-17-23(28(30)29(24)18-20-8-6-5-7-9-20)16-22-14-15-25(31-2)27(33-4)26(22)32-3/h5-17H,18H2,1-4H3/b23-16- |
| InChIKey |
IIVXZBKWJFKMHO-KQWNVCNZSA-N |
| Molecular Weight |
441.527 g/mol |
| SMILES |
C=1(N(C(\C(C1)=C\C=1C(=C(OC)C(=CC1)OC)OC)=O)CC=1C=CC=CC1)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926249 |
