2,5-BIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYLENE]-2,5-DIHYDROTHIOPHENE

SpectraBase Compound ID	FINV26U3A1L
InChI	InChI=1S/C78H94S/c1-71(2,3)47-25-33-51-55(37-29-47)63(75(13,14)15)43-59(51)69(60-44-64(76(16,17)18)56-38-30-48(72(4,5)6)26-34-52(56)60)67-41-42-68(79-67)70(61-45-65(77(19,20)21)57-39-31-49(73(7,8)9)27-35-53(57)61)62-46-66(78(22,23)24)58-40-32-50(74(10,11)12)28-36-54(58)62/h25-46H,1-24H3
InChIKey	RREIZXGHZKTLNO-UHFFFAOYSA-N Google Search
Mol Weight	1063.7 g/mol
Molecular Formula	C78H94S
Exact Mass	1062.707624 g/mol

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SpectraBase Spectrum ID	2Cp3lo9ojib
Name	2,5-BIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYLENE]-2,5-DIHYDROTHIOPHENE
Compound Number	18B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C78H94S
InChI	InChI=1S/C78H94S/c1-71(2,3)47-25-33-51-55(37-29-47)63(75(13,14)15)43-59(51)69(60-44-64(76(16,17)18)56-38-30-48(72(4,5)6)26-34-52(56)60)67-41-42-68(79-67)70(61-45-65(77(19,20)21)57-39-31-49(73(7,8)9)27-35-53(57)61)62-46-66(78(22,23)24)58-40-32-50(74(10,11)12)28-36-54(58)62/h25-46H,1-24H3
InChIKey	RREIZXGHZKTLNO-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	1063.664 g/mol
Solvent	C6D6
Source File Reference	UWLU26553