SpectraBase Spectrum ID |
IvT8aYB8hWW |
Name |
1,5-Naphthalenediamine, N,N'-[(4-nitrophenyl)methylene]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
424.117155007 u |
Formula |
C24H16N4O4 |
InChI |
InChI=1S/C24H16N4O4/c29-27(30)19-11-7-17(8-12-19)15-25-23-5-1-3-21-22(23)4-2-6-24(21)26-16-18-9-13-20(14-10-18)28(31)32/h1-16H/b25-15+,26-16+ |
InChIKey |
LMUGPTLSXUOURG-RYQLWAFASA-N |
Molecular Weight |
424.416 g/mol |
SMILES |
C1(\N=C\C2=CC=C(N(=O)=O)C=C2)=C2C(=CC=C1)C(\N=C\C1=CC=C(C=C1)N(=O)=O)=CC=C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921891 |