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1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
SpectraBase Compound ID Ahl1CI2BnNn
InChI InChI=1S/C78H110O9/c1-6-11-16-21-26-35-48-82-70-54-63-64-55-71(83-49-36-27-22-17-12-7-2)73(85-51-38-29-24-19-14-9-4)57-66(64)68-59-75(74(86-52-39-30-25-20-15-10-5)58-67(68)65(63)56-72(70)84-50-37-28-23-18-13-8-3)87-53-41-32-31-40-47-81-69-46-42-45-62-76(69)78(80)61-44-34-33-43-60(61)77(62)79/h33-34,42-46,54-59H,6-32,35-41,47-53H2,1-5H3
InChIKey JUWBHCBYYCNING-UHFFFAOYSA-N
Mol Weight 1191.7 g/mol
Molecular Formula C78H110O9
Exact Mass 1190.814985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Axw4XCxbbLy
Name 1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C78H110O9
InChI InChI=1S/C78H110O9/c1-6-11-16-21-26-35-48-82-70-54-63-64-55-71(83-49-36-27-22-17-12-7-2)73(85-51-38-29-24-19-14-9-4)57-66(64)68-59-75(74(86-52-39-30-25-20-15-10-5)58-67(68)65(63)56-72(70)84-50-37-28-23-18-13-8-3)87-53-41-32-31-40-47-81-69-46-42-45-62-76(69)78(80)61-44-34-33-43-60(61)77(62)79/h33-34,42-46,54-59H,6-32,35-41,47-53H2,1-5H3
InChIKey JUWBHCBYYCNING-UHFFFAOYSA-N
Molecular Weight 1191.729 g/mol
SMILES C1(c2c(cccc2OCCCCCCOc2cc3c4c(cc(c(c4)OCCCCCCCC)OCCCCCCCC)c4c(c3cc2OCCCCCCCC)cc(c(OCCCCCCCC)c4)OCCCCCCCC)C(c2c1cccc2)=O)=O
SPLASH splash10-0006-0931010001-927be317d0403224cc08
Source of Spectrum KC-0-3359-1
Synonyms 1-[6-(3,6,7,10,11-pentaoctoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione 1-[6-[(3,6,7,10,11-pentaoctoxy-2-triphenylenyl)oxy]hexoxy]anthracene-9,10-dione
Wiley ID 831798