SpectraBase Spectrum ID |
IyMdMqdvsHo |
Name |
3,6-Diphenylpyrrolo[3,4-C]pyrrole-1,4(2H,5H)-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.089877632 u |
Formula |
C18H12N2O2 |
InChI |
InChI=1S/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,22)(H,20,21) |
InChIKey |
UWHBZLMSPZBZHY-UHFFFAOYSA-N |
Molecular Weight |
288.306 g/mol |
SMILES |
N1C(=C2C(NC(=C2C1=O)C=1C=CC=CC1)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.944898 |