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2,9-bis[1'-Heptyl-2'-(1H-imidazol-1''-yl)octyl]-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone
SpectraBase Compound ID 37HoGt3gOi5
InChI InChI=1S/C60H74N6O4/c1-5-9-13-17-21-25-51(49(23-19-15-11-7-3)63-37-35-61-39-63)65-57(67)45-31-27-41-43-29-33-47-56-48(34-30-44(54(43)56)42-28-32-46(58(65)68)55(45)53(41)42)60(70)66(59(47)69)52(26-22-18-14-10-6-2)50(24-20-16-12-8-4)64-38-36-62-40-64/h27-40,49-52H,5-26H2,1-4H3
InChIKey WOVMWWDKOHRTCW-UHFFFAOYSA-N
Mol Weight 943.3 g/mol
Molecular Formula C60H74N6O4
Exact Mass 942.577155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gVmL5QnrV6
Name 2,9-bis[1'-Heptyl-2'-(1H-imidazol-1''-yl)octyl]-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone
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Formula C60H74N6O4
InChI InChI=1S/C60H74N6O4/c1-5-9-13-17-21-25-51(49(23-19-15-11-7-3)63-37-35-61-39-63)65-57(67)45-31-27-41-43-29-33-47-56-48(34-30-44(54(43)56)42-28-32-46(58(65)68)55(45)53(41)42)60(70)66(59(47)69)52(26-22-18-14-10-6-2)50(24-20-16-12-8-4)64-38-36-62-40-64/h27-40,49-52H,5-26H2,1-4H3
InChIKey WOVMWWDKOHRTCW-UHFFFAOYSA-N
Molecular Weight 943.290 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(C([n]1cncc1)CCCCCC)CCCCCCC)=O)=O)C(C([n]1cncc1)CCCCCC)CCCCCCC)=O
SPLASH splash10-0006-4209301100-38a6ba6d338c520465f9
Source of Spectrum C-88-2837-4
Wiley ID 1590437