SpectraBase Spectrum ID |
5nSSf2AYYOQ |
Name |
Benzenamine, 4-[2-(4-aminophenyl)ethenyl]-N-[(4-nitrophenyl)methylene]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
343.132076797 u |
Formula |
C21H17N3O2 |
InChI |
InChI=1S/C21H17N3O2/c22-19-9-3-16(4-10-19)1-2-17-5-11-20(12-6-17)23-15-18-7-13-21(14-8-18)24(25)26/h1-15H,22H2/b2-1+,23-15+ |
InChIKey |
SCXNMVRRPMXUNN-HUTORVMVSA-N |
Molecular Weight |
343.386 g/mol |
SMILES |
C1(\C=C\C2=CC=C(N)C=C2)=CC=C(C=C1)\N=C\C1=CC=C(C=C1)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804647 |