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9-(1'-Hexylheptyl)-2-[1"-hexyl-2"-(1H-imidazol-1'"-yl)heptyl]anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone
SpectraBase Compound ID 7i7Qcbn1v7E
InChI InChI=1S/C53H64N4O4/c1-5-9-13-17-20-35(21-18-14-10-6-2)56-50(58)40-28-24-36-38-26-30-42-49-43(31-27-39(47(38)49)37-25-29-41(51(56)59)48(40)46(36)37)53(61)57(52(42)60)45(23-19-15-11-7-3)44(22-16-12-8-4)55-33-32-54-34-55/h24-35,44-45H,5-23H2,1-4H3
InChIKey OOTRWRYYZAFRRX-UHFFFAOYSA-N
Mol Weight 821.1 g/mol
Molecular Formula C53H64N4O4
Exact Mass 820.492757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UFF3JkzHaZ
Name 9-(1'-Hexylheptyl)-2-[1"-hexyl-2"-(1H-imidazol-1'"-yl)heptyl]anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone
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Formula C53H64N4O4
InChI InChI=1S/C53H64N4O4/c1-5-9-13-17-20-35(21-18-14-10-6-2)56-50(58)40-28-24-36-38-26-30-42-49-43(31-27-39(47(38)49)37-25-29-41(51(56)59)48(40)46(36)37)53(61)57(52(42)60)45(23-19-15-11-7-3)44(22-16-12-8-4)55-33-32-54-34-55/h24-35,44-45H,5-23H2,1-4H3
InChIKey OOTRWRYYZAFRRX-UHFFFAOYSA-N
Molecular Weight 821.119 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(CCCCCC)CCCCCC)=O)=O)C(C([n]1cncc1)CCCCC)CCCCCC)=O
SPLASH splash10-00dl-1109142030-d78743b4b9015dcc12ec
Source of Spectrum C-88-2835-0
Wiley ID 1590379