SpectraBase Spectrum ID |
3oWPDCIXsvt |
Name |
9,10-Anthracenedione, 1,8-bis(1,3-dihydro-1,3-dioxo(2H)isoindol-2-yl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
498.085186173 u |
Formula |
C30H14N2O6 |
InChI |
InChI=1S/C30H14N2O6/c33-25-19-11-5-13-21(31-27(35)15-7-1-2-8-16(15)28(31)36)23(19)26(34)24-20(25)12-6-14-22(24)32-29(37)17-9-3-4-10-18(17)30(32)38/h1-14H |
InChIKey |
SIVXPCXQXZJZGF-UHFFFAOYSA-N |
Molecular Weight |
498.450 g/mol |
SMILES |
C12=C(C(C=3C(C2=O)=CC=CC3N2C(C3=C(C=CC=C3)C2=O)=O)=O)C(=CC=C1)N1C(C2=C(C=CC=C2)C1=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961637 |