8-CASCADE:PERYLENE-[2-3,9(10)]:(2,3,4,5-PHENYLENE):ACETYLENE

SpectraBase Compound ID	C47wNwlvVoZ
InChI	InChI=1S/C96H52/c1-9-61-23-39-69(40-24-61)85-59-87(91(73-47-31-65(13-5)32-48-73)93(75-51-35-67(15-7)36-52-75)89(85)71-43-27-63(11-3)28-44-71)77-55-57-83-82-22-18-20-80-78(56-58-84(96(80)82)81-21-17-19-79(77)95(81)83)88-60-86(70-41-25-62(10-2)26-42-70)90(72-45-29-64(12-4)30-46-72)94(76-53-37-68(16-8)38-54-76)92(88)74-49-33-66(14-6)34-50-74/h1-8,17-60H
InChIKey	WZJOYALZAJCOKX-UHFFFAOYSA-N Google Search
Mol Weight	1205.5 g/mol
Molecular Formula	C96H52
Exact Mass	1204.406902 g/mol

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SpectraBase Spectrum ID	JqkMYS7ipwm
Name	8-CASCADE:PERYLENE-[2-3,9(10)]:(2,3,4,5-PHENYLENE):ACETYLENE
Compound Number	13
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C96H52
InChI	InChI=1S/C96H52/c1-9-61-23-39-69(40-24-61)85-59-87(91(73-47-31-65(13-5)32-48-73)93(75-51-35-67(15-7)36-52-75)89(85)71-43-27-63(11-3)28-44-71)77-55-57-83-82-22-18-20-80-78(56-58-84(96(80)82)81-21-17-19-79(77)95(81)83)88-60-86(70-41-25-62(10-2)26-42-70)90(72-45-29-64(12-4)30-46-72)94(76-53-37-68(16-8)38-54-76)92(88)74-49-33-66(14-6)34-50-74/h1-8,17-60H
InChIKey	WZJOYALZAJCOKX-UHFFFAOYSA-N
Literature Reference Author	J.QU,D.LIU,S.D.FEYTER,J.ZHANG,F.C.D.SCHRYVER,K.MUELLEN
Literature Reference Citation	J.ORG.CHEM.,68,9802(2003)
Literature Reference DOI	10.1021/jo035109e
Molecular Weight	1205.469 g/mol
Solvent	THF
Source File Reference	UWLU24368