| SpectraBase Spectrum ID |
6Rag8Lq4iwH |
| Name |
1H-Isoindole-1,3(2H)-dione, 5,5'-carbonylbis[2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.105921618 u |
| Formula |
C29H16N2O5 |
| InChI |
InChI=1S/C29H16N2O5/c32-25(17-11-13-21-23(15-17)28(35)30(26(21)33)19-7-3-1-4-8-19)18-12-14-22-24(16-18)29(36)31(27(22)34)20-9-5-2-6-10-20/h1-16H |
| InChIKey |
JNNZLQXUPIVHOJ-UHFFFAOYSA-N |
| Molecular Weight |
472.456 g/mol |
| SMILES |
C1(=O)C2=C(C=CC(=C2)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C2=CC=CC=C2)C(N1C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97504 |
