| SpectraBase Spectrum ID |
22Qkx2BXTrO |
| Name |
Anthra[2,1,9-def:6,5,10-D'E'F']diisoquinoline-1,3,8,10(2H,9H)-dione, 5,6,12,13-tetrachloro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
525.908167477 u |
| Formula |
C24H6Cl4N2O4 |
| InChI |
InChI=1S/C24H6Cl4N2O4/c25-9-1-5-13-6(22(32)29-21(5)31)2-11(27)17-18-12(28)4-8-14-7(23(33)30-24(8)34)3-10(26)16(20(14)18)15(9)19(13)17/h1-4H,(H,29,31,32)(H,30,33,34) |
| InChIKey |
SOGFVOVSOPPQPF-UHFFFAOYSA-N |
| Molecular Weight |
528.134 g/mol |
| SMILES |
N1C(C=2C=3C4=C(C=5C6=C7C(C(NC(C7=CC5Cl)=O)=O)=CC(=C6C4=C(C2)Cl)Cl)C(=CC3C1=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.891555 |
![Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-dione, 5,6,12,13-tetrachloro-](/api/spectrum/22Qkx2BXTrO/structure.png?h=300&w=458 "Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-dione, 5,6,12,13-tetrachloro-")
