| SpectraBase Spectrum ID |
4ZsiD1ibcLJ |
| Name |
Hexakis(m-tolylethynyl)benzene |
| Alternate Name(s) |
1,2,3,4,5,6-hexakis(m-tolylethynyl)benzene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C60H42 |
| InChI |
InChI=1S/C60H42/c1-43-13-7-19-49(37-43)25-31-55-56(32-26-50-20-8-14-44(2)38-50)58(34-28-52-22-10-16-46(4)40-52)60(36-30-54-24-12-18-48(6)42-54)59(35-29-53-23-11-17-47(5)41-53)57(55)33-27-51-21-9-15-45(3)39-51/h7-24,37-42H,1-6H3 |
| InChIKey |
VLWNELXMIMAHJC-UHFFFAOYSA-N |
| Molecular Weight |
762.996 g/mol |
| SMILES |
c1(cccc(c1)C)C#Cc1c(C#Cc2cccc(c2)C)c(C#Cc2cccc(c2)C)c(C#Cc2cccc(C)c2)c(C#Cc2cc(ccc2)C)c1C#Cc1cccc(c1)C |
| SPLASH |
splash10-0a4i-0390000300-f2f4df9434515460d251 |
| Source of Spectrum |
A1-13-1618/SM22-4g |
| Wiley ID |
1752850 |
