| SpectraBase Spectrum ID |
D4SCLiXDb6Y |
| Name |
[3,3'-bi-7H-Benz[de]anthracene]-7,7'-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.130679818 u |
| Formula |
C34H18O2 |
| InChI |
InChI=1S/C34H18O2/c35-33-27-9-3-1-7-19(27)25-17-15-21(23-11-5-13-29(33)31(23)25)22-16-18-26-20-8-2-4-10-28(20)34(36)30-14-6-12-24(22)32(26)30/h1-18H |
| InChIKey |
ZSNLOGRWRVNZRH-UHFFFAOYSA-N |
| Molecular Weight |
458.516 g/mol |
| SMILES |
C1(=O)C2=C(C=CC=C2)C2=CC=C(C=3C2=C1C=CC3)C=1C2=CC=CC=3C(=O)C=4C=CC=CC4C(C23)=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.787169 |
![[3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione](/api/spectrum/D4SCLiXDb6Y/structure.png?h=300&w=458 "[3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione")
