SpectraBase Spectrum ID |
JdLrkbmDJQ0 |
Name |
4,4',4''-(3-(2-ethynylphenyl)prop-2-yne-1,1,1-triyl)tris(chlorobenzene) |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
470.039583647 u |
Formula |
C29H17Cl3 |
InChI |
InChI=1S/C29H17Cl3/c1-2-21-5-3-4-6-22(21)19-20-29(23-7-13-26(30)14-8-23,24-9-15-27(31)16-10-24)25-11-17-28(32)18-12-25/h1,3-18H |
InChIKey |
SNOFZERGUPFHGT-UHFFFAOYSA-N |
Molecular Weight |
471.814 g/mol |
SMILES |
C1=C(C#CC(C2=CC=C(C=C2)Cl)(C=2C=CC(=CC2)Cl)C2=CC=C(C=C2)Cl)C(=CC=C1)C#C |