| SpectraBase Spectrum ID |
DrxbR00jLRf |
| Name |
1,2,4-Tris(4-chlorophenyl)anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.029412885 u |
| Formula |
C32H17Cl3O2 |
| InChI |
InChI=1S/C32H17Cl3O2/c33-21-11-5-18(6-12-21)26-17-27(19-7-13-22(34)14-8-19)29-30(28(26)20-9-15-23(35)16-10-20)32(37)25-4-2-1-3-24(25)31(29)36/h1-17H |
| InChIKey |
MHWSZLUJHGVACS-UHFFFAOYSA-N |
| Molecular Weight |
539.845 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(C=2C=CC(=CC2)Cl)C=C(C1C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915771 |
