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1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
SpectraBase Compound ID IuYxIA4K8hl
InChI InChI=1S/C68H90O9/c1-6-11-16-25-38-72-60-44-53-54-45-61(73-39-26-17-12-7-2)63(75-41-28-19-14-9-4)47-56(54)58-49-65(64(76-42-29-20-15-10-5)48-57(58)55(53)46-62(60)74-40-27-18-13-8-3)77-43-31-22-21-30-37-71-59-36-32-35-52-66(59)68(70)51-34-24-23-33-50(51)67(52)69/h23-24,32-36,44-49H,6-22,25-31,37-43H2,1-5H3
InChIKey NDJUARYPICVSJN-UHFFFAOYSA-N
Mol Weight 1051.5 g/mol
Molecular Formula C68H90O9
Exact Mass 1050.658484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhRf0Bw5ZDI
Name 1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
Alternate Name(s) 1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione 1-[6-[(3,6,7,10,11-pentahexoxy-2-triphenylenyl)oxy]hexoxy]anthracene-9,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C68H90O9
InChI InChI=1S/C68H90O9/c1-6-11-16-25-38-72-60-44-53-54-45-61(73-39-26-17-12-7-2)63(75-41-28-19-14-9-4)47-56(54)58-49-65(64(76-42-29-20-15-10-5)48-57(58)55(53)46-62(60)74-40-27-18-13-8-3)77-43-31-22-21-30-37-71-59-36-32-35-52-66(59)68(70)51-34-24-23-33-50(51)67(52)69/h23-24,32-36,44-49H,6-22,25-31,37-43H2,1-5H3
InChIKey NDJUARYPICVSJN-UHFFFAOYSA-N
Molecular Weight 1051.459 g/mol
SMILES C1(c2c(cccc2OCCCCCCOc2cc3c4c(cc(c(c4)OCCCCCC)OCCCCCC)c4c(c3cc2OCCCCCC)cc(c(OCCCCCC)c4)OCCCCCC)C(c2c1cccc2)=O)=O
SPLASH splash10-0udi-9030100000-04d43f9b09bb33c61605
Source of Spectrum KC-0-3359-1
Wiley ID 831800