SpectraBase Spectrum ID |
92iJ88YOylr |
Name |
2,3,5,6-Tetrachloro-4-[.alpha.-{(3-phenylprop-2-en-1-yl)phenylimino]benzyloxy}phenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
450.970039461 u |
Formula |
C21H13Cl4NO2 |
InChI |
InChI=1S/C21H13Cl4NO2/c22-15-17(24)20(18(25)16(23)19(15)27)28-21(14-9-5-2-6-10-14)26-12-11-13-7-3-1-4-8-13/h1-12,27H/b12-11+,26-21+ |
InChIKey |
QEFARRBGJFVUCF-UVLRMEHCSA-N |
Molecular Weight |
453.152 g/mol |
SMILES |
C1(=C(C(Cl)=C(C(=C1Cl)Cl)O)Cl)O\C(=N\C=C\C1=CC=CC=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962269 |