SpectraBase Spectrum ID |
EdIOMhnGuKo |
Name |
1-(Trichloromethyl)-4-[4-(trichloromethyl)phenyl]benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
385.875716458 u |
Formula |
C14H8Cl6 |
InChI |
InChI=1S/C14H8Cl6/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18,19)20/h1-8H |
InChIKey |
GGNIDJBSQSQIAZ-UHFFFAOYSA-N |
Molecular Weight |
388.936 g/mol |
SMILES |
C(C1=CC=C(C=C1)C1=CC=C(C(Cl)(Cl)Cl)C=C1)(Cl)(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939298 |