SpectraBase Spectrum ID |
2GUKXHebrsv |
Name |
5,5,10-Trichloro-5H-dibenzo[A,D][7]annulene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
293.976983390 u |
Formula |
C15H9Cl3 |
InChI |
InChI=1S/C15H9Cl3/c16-14-9-10-5-1-3-7-12(10)15(17,18)13-8-4-2-6-11(13)14/h1-9H |
InChIKey |
NSEGFMPFNSPECG-UHFFFAOYSA-N |
Molecular Weight |
295.596 g/mol |
SMILES |
C1(Cl)=CC2=CC=CC=C2C(Cl)(Cl)C2=CC=CC=C12 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956659 |