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2-Hexyl-2-{9'-(1"-heptyloctyl)-1',3',8',10-tetraoxo-3,8,9,10-tetrahydro-1H-anthra[2,1,9-def : 6',5',10'-d'e'f']diisoquinolin-2'-yl]methyl}-octyl - Methacrylate
SpectraBase Compound ID IiYj2z2aqtM
InChI InChI=1S/C58H74N2O6/c1-6-10-14-18-21-25-38-58(37-24-17-13-9-4,39-36-49(61)66-5)60-56(64)47-34-30-43-41-28-32-45-52-46(33-29-42(50(41)52)44-31-35-48(57(60)65)53(47)51(43)44)55(63)59(54(45)62)40(26-22-19-15-11-7-2)27-23-20-16-12-8-3/h28-36,39-40H,6-27,37-38H2,1-5H3/b39-36+
InChIKey JMLJGMJVACGLLJ-WQBMDMGNSA-N
Mol Weight 895.2 g/mol
Molecular Formula C58H74N2O6
Exact Mass 894.554688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6MEs2DimR0
Name 2-Hexyl-2-{9'-(1"-heptyloctyl)-1',3',8',10-tetraoxo-3,8,9,10-tetrahydro-1H-anthra[2,1,9-def : 6',5',10'-d'e'f']diisoquinolin-2'-yl]methyl}-octyl - Methacrylate
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Formula C58H74N2O6
InChI InChI=1S/C58H74N2O6/c1-6-10-14-18-21-25-38-58(37-24-17-13-9-4,39-36-49(61)66-5)60-56(64)47-34-30-43-41-28-32-45-52-46(33-29-42(50(41)52)44-31-35-48(57(60)65)53(47)51(43)44)55(63)59(54(45)62)40(26-22-19-15-11-7-2)27-23-20-16-12-8-3/h28-36,39-40H,6-27,37-38H2,1-5H3/b39-36+
InChIKey JMLJGMJVACGLLJ-WQBMDMGNSA-N
Molecular Weight 895.238 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(CCCCCCC)CCCCCCC)=O)=O)C(\C=C\C(=O)OC)(CCCCCC)CCCCCCCC)=O
SPLASH splash10-052f-1005704090-714e89351c3f07c70b75
Source of Spectrum H-2005-4319-0
Wiley ID 1587820