SpectraBase Spectrum ID |
EL0tcoZbeiq |
Name |
2,6-Dichloro-N~4~-[(4-nitrophenyl)methylidene]-1,4-benzenediamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
309.007181940 u |
Formula |
C13H9Cl2N3O2 |
InChI |
InChI=1S/C13H9Cl2N3O2/c14-11-5-9(6-12(15)13(11)16)17-7-8-1-3-10(4-2-8)18(19)20/h1-7H,16H2/b17-7+ |
InChIKey |
JXBXPZPTMDFZKW-REZTVBANSA-N |
Molecular Weight |
310.140 g/mol |
SMILES |
C=1C(\C=N\C=2C=C(Cl)C(=C(C2)Cl)N)=CC=C(N(=O)=O)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946619 |