| SpectraBase Spectrum ID |
JXQsLv7ThNd |
| Name |
1,3,6-tri(4-Methoxyphenyl)-4-(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 |
544.199822005 u |
| Formula |
C34H28N2O5 |
| InChI |
InChI=1S/C34H28N2O5/c1-21-5-11-24(12-6-21)35-31-29(22-7-15-26(39-2)16-8-22)34(38)36(25-13-19-28(41-4)20-14-25)32(31)30(33(35)37)23-9-17-27(40-3)18-10-23/h5-20H,1-4H3 |
| InChIKey |
KGAGZQQVNYWPAS-UHFFFAOYSA-N |
| Molecular Weight |
544.607 g/mol |
| SMILES |
C=12N(C(C(=C2N(C(C1C=1C=CC(=CC1)OC)=O)C=1C=CC(=CC1)C)C=1C=CC(=CC1)OC)=O)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923336 |
![1,3,6-Tri(4-methoxyphenyl)-4-(p-tolyl)pyrrolo[3,2-b]pyrrole-2,5-dione](/api/spectrum/JXQsLv7ThNd/structure.png?h=300&w=458 "1,3,6-Tri(4-methoxyphenyl)-4-(p-tolyl)pyrrolo[3,2-b]pyrrole-2,5-dione")
