SpectraBase Spectrum ID |
6k9AEesQdYE |
Name |
Benzene, 1-chloro-2-[2-chloro-1-(4-chlorophenyl)ethenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.976983390 u |
Formula |
C14H9Cl3 |
InChI |
InChI=1S/C14H9Cl3/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17/h1-9H/b13-9+ |
InChIKey |
OQMWNKDFIAFJEO-UKTHLTGXSA-N |
Molecular Weight |
283.585 g/mol |
SMILES |
C1(\C(=C\Cl)C2=CC=C(C=C2)Cl)=C(Cl)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872627 |