| SpectraBase Spectrum ID |
8JymCBWfRev |
| Name |
1-(4-Methoxyphenyl)-4-phenyl-3,6-di(p-tolyl)pyrrolo[3,2-B]pyrrole-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.194342702 u |
| Formula |
C33H26N2O3 |
| InChI |
InChI=1S/C33H26N2O3/c1-21-9-13-23(14-10-21)28-30-31(35(33(28)37)26-17-19-27(38-3)20-18-26)29(24-15-11-22(2)12-16-24)32(36)34(30)25-7-5-4-6-8-25/h4-20H,1-3H3 |
| InChIKey |
PBRYCJVJYUKNGX-UHFFFAOYSA-N |
| Molecular Weight |
498.582 g/mol |
| SMILES |
C1=2C(=C(C=3C=CC(=CC3)C)C(N1C=1C=CC(=CC1)OC)=O)N(C1=CC=CC=C1)C(C2C1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88967 |
![1-(4-Methoxyphenyl)-4-phenyl-3,6-di(p-tolyl)pyrrolo[3,2-b]pyrrole-2,5-dione](/api/spectrum/8JymCBWfRev/structure.png?h=300&w=458 "1-(4-Methoxyphenyl)-4-phenyl-3,6-di(p-tolyl)pyrrolo[3,2-b]pyrrole-2,5-dione")
