| SpectraBase Spectrum ID |
4sKJGWz8O6S |
| Name |
4-Bromo-3,3',4',5,5'-pentakis(phenylethynyl)-2,2'-bithiophene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H25BrS2 |
| InChI |
InChI=1S/C48H25BrS2/c49-46-43(33-28-38-20-10-3-11-21-38)48(51-45(46)35-30-40-24-14-5-15-25-40)47-42(32-27-37-18-8-2-9-19-37)41(31-26-36-16-6-1-7-17-36)44(50-47)34-29-39-22-12-4-13-23-39/h1-25H |
| InChIKey |
YQLUIHJXJNZKER-UHFFFAOYSA-N |
| Molecular Weight |
745.752 g/mol |
| SMILES |
c1(-c2c(c(C#Cc3ccccc3)c(s2)C#Cc2ccccc2)C#Cc2ccccc2)c(C#Cc2ccccc2)c(Br)c(s1)C#Cc1ccccc1 |
| SPLASH |
splash10-0008-0000000900-b3e9fa17964cffca5abf |
| Source of Spectrum |
H-79-763-2 |
| Synonyms |
3-bromo-2,4-bis(2-phenylethynyl)-5-[3,4,5-tris(2-phenylethynyl)thiophen-2-yl]thiophene |
| Wiley ID |
1416213 |
