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

SpectraBase Compound ID	II4EQKHqgLy
InChI	InChI=1S/C50H30/c1-7-19-41-35(13-1)47-36-14-2-8-20-42(36)49(41,43-21-9-3-15-37(43)47)31-29-33-25-27-34(28-26-33)30-32-50-44-22-10-4-16-38(44)48(39-17-5-11-23-45(39)50)40-18-6-12-24-46(40)50/h1-28,47-48H
InChIKey	MTUBPIJZCZDEIX-UHFFFAOYSA-N Google Search
Mol Weight	630.8 g/mol
Molecular Formula	C50H30
Exact Mass	630.234751 g/mol

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SpectraBase Spectrum ID	6tpMklUNrXm
Name	1,4-bis[2'-(9"-Triptycyl)ethynyl]-benzene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C50H30
InChI	InChI=1S/C50H30/c1-7-19-41-35(13-1)47-36-14-2-8-20-42(36)49(41,43-21-9-3-15-37(43)47)31-29-33-25-27-34(28-26-33)30-32-50-44-22-10-4-16-38(44)48(39-17-5-11-23-45(39)50)40-18-6-12-24-46(40)50/h1-28,47-48H
InChIKey	MTUBPIJZCZDEIX-UHFFFAOYSA-N
Molecular Weight	630.790 g/mol
SMILES	C12(c3c(cccc3)C(c3c1cccc3)c1c2cccc1)C#Cc1ccc(C#CC23c4c(C(c5c3cccc5)c3c2cccc3)cccc4)cc1
SPLASH	splash10-001i-0030009000-e647b742705b98d6b1f4
Source of Spectrum	C-124-4702-1
Wiley ID	1700853