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9-(1"'-Heptyloctyl)-2-[2'-hexadecyl-2'-(hydroxymethyl)octadecyl}-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone
SpectraBase Compound ID 3yWjU4ElBJp
InChI InChI=1S/C74H110N2O5/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-39-43-55-74(56-77,54-42-38-34-32-30-28-26-24-22-20-18-14-10-6-2)76-72(80)64-52-48-60-58-46-50-62-68-63(51-47-59(66(58)68)61-49-53-65(73(76)81)69(64)67(60)61)71(79)75(70(62)78)57(44-40-36-15-11-7-3)45-41-37-16-12-8-4/h46-53,57,77H,5-45,54-56H2,1-4H3
InChIKey WYEQUCADOJJSHW-UHFFFAOYSA-N
Mol Weight 1107.7 g/mol
Molecular Formula C74H110N2O5
Exact Mass 1106.841475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQwdYJwpVKt
Name 9-(1"'-Heptyloctyl)-2-[2'-hexadecyl-2'-(hydroxymethyl)octadecyl}-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone
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Formula C74H110N2O5
InChI InChI=1S/C74H110N2O5/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-39-43-55-74(56-77,54-42-38-34-32-30-28-26-24-22-20-18-14-10-6-2)76-72(80)64-52-48-60-58-46-50-62-68-63(51-47-59(66(58)68)61-49-53-65(73(76)81)69(64)67(60)61)71(79)75(70(62)78)57(44-40-36-15-11-7-3)45-41-37-16-12-8-4/h46-53,57,77H,5-45,54-56H2,1-4H3
InChIKey WYEQUCADOJJSHW-UHFFFAOYSA-N
Molecular Weight 1107.703 g/mol
SMILES OCC(N1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(CCCCCCC)CCCCCCC)C(c4cc1)=O)=O)ccc32)=O)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
SPLASH splash10-0zfu-3509804000-e05eb7501bcfe61f77f3
Source of Spectrum H-2005-4319-3
Wiley ID 1587821