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1,5-Dioxo-11,15-bis[(9'-anthracenyl)methyl]-8,18-bis(pyridino)-6,8,11,15,18,20-hexaaza-(2,3,4-benzo)-cyclodocosane
SpectraBase Compound ID 3yuHNmiHWzz
InChI InChI=1S/C53H44N6O2/c60-52-40-17-9-18-41(31-40)53(61)57-51-26-11-20-43(55-51)33-59(35-49-46-23-7-3-15-38(46)30-39-16-4-8-24-47(39)49)28-12-27-58(32-42-19-10-25-50(54-42)56-52)34-48-44-21-5-1-13-36(44)29-37-14-2-6-22-45(37)48/h1-11,13-26,29-31H,12,27-28,32-35H2,(H,54,56,60)(H,55,57,61)
InChIKey JDROCOGBNPBGMU-UHFFFAOYSA-N
Mol Weight 797.0 g/mol
Molecular Formula C53H44N6O2
Exact Mass 796.352575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QMXEmnhmZC
Name 1,5-Dioxo-11,15-bis[(9'-anthracenyl)methyl]-8,18-bis(pyridino)-6,8,11,15,18,20-hexaaza-(2,3,4-benzo)-cyclodocosane
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Formula C53H44N6O2
InChI InChI=1S/C53H44N6O2/c60-52-40-17-9-18-41(31-40)53(61)57-51-26-11-20-43(55-51)33-59(35-49-46-23-7-3-15-38(46)30-39-16-4-8-24-47(39)49)28-12-27-58(32-42-19-10-25-50(54-42)56-52)34-48-44-21-5-1-13-36(44)29-37-14-2-6-22-45(37)48/h1-11,13-26,29-31H,12,27-28,32-35H2,(H,54,56,60)(H,55,57,61)
InChIKey JDROCOGBNPBGMU-UHFFFAOYSA-N
Molecular Weight 796.975 g/mol
SMILES N1c2nc(CN(CCCN(Cc3nc(NC(c4cc(C1=O)ccc4)=O)ccc3)Cc1c3c(cc4c1cccc4)cccc3)Cc1c3c(cccc3)cc3c1cccc3)ccc2
SPLASH splash10-0zi0-0000007900-7d79fed941a3e611fdeb
Source of Spectrum C3-33-1972-2
Wiley ID 1696318