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1,3,6,8-Tetrakis(2',5'-dihexyl-4'-iodobiphenyl-4-yl)pyrene
SpectraBase Compound ID 8hCzAY6KIuS
InChI InChI=1S/C112H134I4/c1-9-17-25-33-41-87-73-107(113)91(45-37-29-21-13-5)69-99(87)79-49-57-83(58-50-79)103-77-104(84-59-51-80(52-60-84)100-70-92(46-38-30-22-14-6)108(114)74-88(100)42-34-26-18-10-2)96-67-68-98-106(86-63-55-82(56-64-86)102-72-94(48-40-32-24-16-8)110(116)76-90(102)44-36-28-20-12-4)78-105(97-66-65-95(103)111(96)112(97)98)85-61-53-81(54-62-85)101-71-93(47-39-31-23-15-7)109(115)75-89(101)43-35-27-19-11-3/h49-78H,9-48H2,1-8H3
InChIKey RMWASYPODDYKMY-UHFFFAOYSA-N
Mol Weight 1987.9 g/mol
Molecular Formula C112H134I4
Exact Mass 1986.666434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DVdj4QNa8C
Name 1,3,6,8-Tetrakis(2',5'-dihexyl-4'-iodobiphenyl-4-yl)pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C112H134I4
InChI InChI=1S/C112H134I4/c1-9-17-25-33-41-87-73-107(113)91(45-37-29-21-13-5)69-99(87)79-49-57-83(58-50-79)103-77-104(84-59-51-80(52-60-84)100-70-92(46-38-30-22-14-6)108(114)74-88(100)42-34-26-18-10-2)96-67-68-98-106(86-63-55-82(56-64-86)102-72-94(48-40-32-24-16-8)110(116)76-90(102)44-36-28-20-12-4)78-105(97-66-65-95(103)111(96)112(97)98)85-61-53-81(54-62-85)101-71-93(47-39-31-23-15-7)109(115)75-89(101)43-35-27-19-11-3/h49-78H,9-48H2,1-8H3
InChIKey RMWASYPODDYKMY-UHFFFAOYSA-N
Molecular Weight 1987.922 g/mol
SMILES c12c3c4c(-c5ccc(-c6cc(CCCCCC)c(cc6CCCCCC)I)cc5)cc(c3ccc2c(cc(c1cc4)-c1ccc(-c2cc(CCCCCC)c(cc2CCCCCC)I)cc1)-c1ccc(-c2cc(CCCCCC)c(cc2CCCCCC)I)cc1)-c1ccc(-c2cc(CCCCCC)c(cc2CCCCCC)I)cc1
SPLASH splash10-000i-0000000029-942433da8d35d131e64b
Source of Spectrum SO-0-2152-16
Synonyms 1,3,6,8-tetrakis[4-(2,5-dihexyl-4-iodophenyl)phenyl]pyrene
Wiley ID 879255