1,4'-bis[2''-(9-Triptycyl)ethynyl]-1,1'-biphenyl

SpectraBase Compound ID	3WwUG7ZeVsW
InChI	InChI=1S/C56H34/c1-7-19-47-41(13-1)53-42-14-2-8-20-48(42)55(47,49-21-9-3-15-43(49)53)35-33-37-25-29-39(30-26-37)40-31-27-38(28-32-40)34-36-56-50-22-10-4-16-44(50)54(45-17-5-11-23-51(45)56)46-18-6-12-24-52(46)56/h1-32,53-54H
InChIKey	NYGPEODLEKXYAS-UHFFFAOYSA-N Google Search
Mol Weight	706.9 g/mol
Molecular Formula	C56H34
Exact Mass	706.266051 g/mol

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SpectraBase Spectrum ID	JiTMG3nBo8j
Name	1,4'-bis[2''-(9-Triptycyl)ethynyl]-1,1'-biphenyl
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C56H34
InChI	InChI=1S/C56H34/c1-7-19-47-41(13-1)53-42-14-2-8-20-48(42)55(47,49-21-9-3-15-43(49)53)35-33-37-25-29-39(30-26-37)40-31-27-38(28-32-40)34-36-56-50-22-10-4-16-44(50)54(45-17-5-11-23-51(45)56)46-18-6-12-24-52(46)56/h1-32,53-54H
InChIKey	NYGPEODLEKXYAS-UHFFFAOYSA-N
Molecular Weight	706.888 g/mol
SMILES	C12(c3c(cccc3)C(c3c1cccc3)c1c2cccc1)C#Cc1ccc(-c2ccc(C#CC34c5c(C(c6c4cccc6)c4c3cccc4)cccc5)cc2)cc1
SPLASH	splash10-00di-0911000000-2340695890ed28a81f08
Source of Spectrum	C-124-4702-2
Wiley ID	1700852