| SpectraBase Spectrum ID |
6qaWo1s8BcE |
| Name |
4,5-Dichloro-10-(2,4-dinitrobenzyl)-10H-anthracen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.012326889 u |
| Formula |
C21H12Cl2N2O5 |
| InChI |
InChI=1S/C21H12Cl2N2O5/c22-16-5-1-3-13-19(16)15(20-14(21(13)26)4-2-6-17(20)23)9-11-7-8-12(24(27)28)10-18(11)25(29)30/h1-8,10,15H,9H2 |
| InChIKey |
PVQHURZPVCSKRQ-UHFFFAOYSA-N |
| Molecular Weight |
443.242 g/mol |
| SMILES |
C1(C=2C(=C(Cl)C=CC2)C(C2=C1C=CC=C2Cl)CC=1C(N(=O)=O)=CC(N(=O)=O)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902047 |
