1,3,5-TRIS-[1,3-BIS-(HEXYLOXYCARBONYL)-6-AZULENYLETHYNYL]-BENZENE

SpectraBase Compound ID	Be2JHTpFfAV
InChI	InChI=1S/C84H96O12/c1-7-13-19-25-49-91-79(85)73-58-74(80(86)92-50-26-20-14-8-2)68-44-38-61(37-43-67(68)73)31-34-64-55-65(35-32-62-39-45-69-70(46-40-62)76(82(88)94-52-28-22-16-10-4)59-75(69)81(87)93-51-27-21-15-9-3)57-66(56-64)36-33-63-41-47-71-72(48-42-63)78(84(90)96-54-30-24-18-12-6)60-77(71)83(89)95-53-29-23-17-11-5/h37-48,55-60H,7-30,49-54H2,1-6H3
InChIKey	AIVBCIOLKYQAQO-UHFFFAOYSA-N Google Search
Mol Weight	1297.7 g/mol
Molecular Formula	C84H96O12
Exact Mass	1296.690179 g/mol

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SpectraBase Spectrum ID	C08VqrfhrT
Name	1,3,5-TRIS-[1,3-BIS-(HEXYLOXYCARBONYL)-6-AZULENYLETHYNYL]-BENZENE
Compound Number	3
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C84H96O12
InChI	InChI=1S/C84H96O12/c1-7-13-19-25-49-91-79(85)73-58-74(80(86)92-50-26-20-14-8-2)68-44-38-61(37-43-67(68)73)31-34-64-55-65(35-32-62-39-45-69-70(46-40-62)76(82(88)94-52-28-22-16-10-4)59-75(69)81(87)93-51-27-21-15-9-3)57-66(56-64)36-33-63-41-47-71-72(48-42-63)78(84(90)96-54-30-24-18-12-6)60-77(71)83(89)95-53-29-23-17-11-5/h37-48,55-60H,7-30,49-54H2,1-6H3
InChIKey	AIVBCIOLKYQAQO-UHFFFAOYSA-N
Literature Reference Author	S.ITO,H.INABE,N.MORITA,K.OHTA,T.KITAMURA,K.IMAFUKU
Literature Reference Citation	J.AM.CHEM.SOC.,125,1669(2003)
Literature Reference DOI	10.1021/ja0209262
Molecular Weight	1297.679 g/mol
Sample ID	40478
Solvent	CDCl3