1,4,8,11,15,18,22,25-OCTA-(5-METHYLHEXYL)-PHTHALOCYANINE

SpectraBase Compound ID	LEVOs61limp
InChI	InChI=1S/C88H130N8/c1-57(2)33-17-25-41-65-49-50-66(42-26-18-34-58(3)4)74-73(65)81-89-82(74)94-84-77-69(45-29-21-37-61(9)10)53-54-70(46-30-22-38-62(11)12)78(77)86(91-84)96-88-80-72(48-32-24-40-64(15)16)56-55-71(47-31-23-39-63(13)14)79(80)87(92-88)95-85-76-68(44-28-20-36-60(7)8)52-51-67(43-27-19-35-59(5)6)75(76)83(90-85)93-81/h49-64H,17-48H2,1-16H3,(H2,89,90,91,92,93,94,95,96)
InChIKey	DLRJHNQQVLSYSM-UHFFFAOYSA-N Google Search
Mol Weight	1300.1 g/mol
Molecular Formula	C88H130N8
Exact Mass	1299.041846 g/mol

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SpectraBase Spectrum ID	KpJgICorTUT
Name	1,4,8,11,15,18,22,25-OCTA-(5-METHYLHEXYL)-PHTHALOCYANINE
Compound Number	7C
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C88H130N8
InChI	InChI=1S/C88H130N8/c1-57(2)33-17-25-41-65-49-50-66(42-26-18-34-58(3)4)74-73(65)81-89-82(74)94-84-77-69(45-29-21-37-61(9)10)53-54-70(46-30-22-38-62(11)12)78(77)86(91-84)96-88-80-72(48-32-24-40-64(15)16)56-55-71(47-31-23-39-63(13)14)79(80)87(92-88)95-85-76-68(44-28-20-36-60(7)8)52-51-67(43-27-19-35-59(5)6)75(76)83(90-85)93-81/h49-64H,17-48H2,1-16H3,(H2,89,90,91,92,93,94,95,96)
InChIKey	DLRJHNQQVLSYSM-UHFFFAOYSA-N
Literature Reference Author	D.J.TATE,R.ANEMIAN,R.J.BUSHBY,S.NANAN,S.L.WARRINER,B.J.WHITA KER
Literature Reference Citation	BEIL.J.ORG.CHEM.,8,120(2012)
Literature Reference DOI	10.3762/bjoc.8.14
Molecular Weight	1300.054 g/mol
Solvent	CDCl3
Source File Reference	UWIR10121