2,5-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-THIENO-[3,2-B]-THIOPHENE

SpectraBase Compound ID	EwdQgjspvnk
InChI	InChI=1S/C80H96S2/c1-73(2,3)47-25-33-51-55(37-29-47)63(77(13,14)15)41-59(51)71(60-42-64(78(16,17)18)56-38-30-48(74(4,5)6)26-34-52(56)60)69-45-67-68(81-69)46-70(82-67)72(61-43-65(79(19,20)21)57-39-31-49(75(7,8)9)27-35-53(57)61)62-44-66(80(22,23)24)58-40-32-50(76(10,11)12)28-36-54(58)62/h25-46,71-72H,1-24H3
InChIKey	BPILUQIZEQYVBB-UHFFFAOYSA-N Google Search
Mol Weight	1121.8 g/mol
Molecular Formula	C80H96S2
Exact Mass	1120.695345 g/mol

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SpectraBase Spectrum ID	KX6ET7JsEgw
Name	2,5-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-THIENO-[3,2-B]-THIOPHENE
Compound Number	15B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C80H96S2
InChI	InChI=1S/C80H96S2/c1-73(2,3)47-25-33-51-55(37-29-47)63(77(13,14)15)41-59(51)71(60-42-64(78(16,17)18)56-38-30-48(74(4,5)6)26-34-52(56)60)69-45-67-68(81-69)46-70(82-67)72(61-43-65(79(19,20)21)57-39-31-49(75(7,8)9)27-35-53(57)61)62-44-66(80(22,23)24)58-40-32-50(76(10,11)12)28-36-54(58)62/h25-46,71-72H,1-24H3
InChIKey	BPILUQIZEQYVBB-UHFFFAOYSA-N
Literature Reference Author	S.ITO,S.KIKUCHI,T.OKUJIMA,N.MOTIRA,T.ASAO
Literature Reference Citation	J.ORG.CHEM.,66,2470(2001)
Literature Reference DOI	10.1021/jo001709r
Molecular Weight	1121.762 g/mol
Solvent	CDCl3
Source File Reference	UWLU26546