2,7-bis[2'-(9"-Triptycyl)ethynyl]-pyrene

SpectraBase Compound ID	2zO4ffrQYUQ
InChI	InChI=1S/C60H34/c1-7-19-49-43(13-1)57-44-14-2-8-20-50(44)59(49,51-21-9-3-15-45(51)57)31-29-37-33-39-25-27-41-35-38(36-42-28-26-40(34-37)55(39)56(41)42)30-32-60-52-22-10-4-16-46(52)58(47-17-5-11-23-53(47)60)48-18-6-12-24-54(48)60/h1-28,33-36,57-58H
InChIKey	PUBQCLCOKISEHY-UHFFFAOYSA-N Google Search
Mol Weight	754.9 g/mol
Molecular Formula	C60H34
Exact Mass	754.266051 g/mol

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SpectraBase Spectrum ID	BLhRmsc1ctp
Name	2,7-bis[2'-(9"-Triptycyl)ethynyl]-pyrene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C60H34
InChI	InChI=1S/C60H34/c1-7-19-49-43(13-1)57-44-14-2-8-20-50(44)59(49,51-21-9-3-15-45(51)57)31-29-37-33-39-25-27-41-35-38(36-42-28-26-40(34-37)55(39)56(41)42)30-32-60-52-22-10-4-16-46(52)58(47-17-5-11-23-53(47)60)48-18-6-12-24-54(48)60/h1-28,33-36,57-58H
InChIKey	PUBQCLCOKISEHY-UHFFFAOYSA-N
Molecular Weight	754.932 g/mol
SMILES	C12(c3c(cccc3)C(c3c1cccc3)c1c2cccc1)C#Cc1cc2c3c4c(cc(C#CC56c7c(C(c8c5cccc8)c5c6cccc5)cccc7)cc4ccc3c1)cc2
SPLASH	splash10-0ufr-0800080900-4ace8cc7dc971ad58dfb
Source of Spectrum	C-124-4702-4
Wiley ID	1700850