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1-[6-(3,6,7,10,11-pentaamoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
SpectraBase Compound ID CwJ1JppTIpF
InChI InChI=1S/C63H80O9/c1-6-11-20-32-67-55-39-48-49-40-56(68-33-21-12-7-2)58(70-35-23-14-9-4)42-51(49)53-44-60(59(71-36-24-15-10-5)43-52(53)50(48)41-57(55)69-34-22-13-8-3)72-38-26-17-16-25-37-66-54-31-27-30-47-61(54)63(65)46-29-19-18-28-45(46)62(47)64/h18-19,27-31,39-44H,6-17,20-26,32-38H2,1-5H3
InChIKey BQFNYPVQWCBVNG-UHFFFAOYSA-N
Mol Weight 981.3 g/mol
Molecular Formula C63H80O9
Exact Mass 980.580234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JapXVTWQNf4
Name 1-[6-(3,6,7,10,11-pentaamoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C63H80O9
InChI InChI=1S/C63H80O9/c1-6-11-20-32-67-55-39-48-49-40-56(68-33-21-12-7-2)58(70-35-23-14-9-4)42-51(49)53-44-60(59(71-36-24-15-10-5)43-52(53)50(48)41-57(55)69-34-22-13-8-3)72-38-26-17-16-25-37-66-54-31-27-30-47-61(54)63(65)46-29-19-18-28-45(46)62(47)64/h18-19,27-31,39-44H,6-17,20-26,32-38H2,1-5H3
InChIKey BQFNYPVQWCBVNG-UHFFFAOYSA-N
Molecular Weight 981.324 g/mol
SMILES C1(c2c(cccc2OCCCCCCOc2cc3c4c(cc(c(c4)OCCCCC)OCCCCC)c4c(c3cc2OCCCCC)cc(c(OCCCCC)c4)OCCCCC)C(c2c1cccc2)=O)=O
SPLASH splash10-001i-0032100209-cb20ca7bd8884b6b98c2
Source of Spectrum KC-0-3359-1
Synonyms 1-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]anthracene-9,10-dione 1-[6-[(3,6,7,10,11-pentapentoxy-2-triphenylenyl)oxy]hexoxy]anthracene-9,10-dione
Wiley ID 831801