SpectraBase Spectrum ID |
Bu9SSAaYsFJ |
Name |
1,2-Dihydro-1,1,2,2-tetrachlorocyclobuta[1]phenanthrene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.938011058 u |
Formula |
C16H8Cl4 |
InChI |
InChI=1S/C16H8Cl4/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(15,19)20/h1-8H |
InChIKey |
HUCVOIPHJWEWNU-UHFFFAOYSA-N |
Molecular Weight |
342.052 g/mol |
SMILES |
C=12C=CC=CC1C=1C=CC=CC1C=1C(C(C21)(Cl)Cl)(Cl)Cl |
Spectrum/Structure Validation Score (Raman) |
0.960221 |