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N-(1-Hexylheptyl)-N'-(2-(1-propylbutyl)-3-propylhexyl)perylene-3,4:9,10-bis(dicarboximide)
SpectraBase Compound ID Jz2OZZMvxo0
InChI InChI=1S/C53H68N2O4/c1-7-13-15-17-23-36(24-18-16-14-8-2)55-52(58)43-31-27-39-37-25-29-41-48-42(30-26-38(46(37)48)40-28-32-44(53(55)59)49(43)47(39)40)51(57)54(50(41)56)33-45(34(19-9-3)20-10-4)35(21-11-5)22-12-6/h25-32,34-36,45H,7-24,33H2,1-6H3
InChIKey XZUQOKNOKLTEQS-UHFFFAOYSA-N
Mol Weight 797.1 g/mol
Molecular Formula C53H68N2O4
Exact Mass 796.517909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EG6JKZljk74
Name N-(1-Hexylheptyl)-N'-(2-(1-propylbutyl)-3-propylhexyl)perylene-3,4:9,10-bis(dicarboximide)
Alternate Name(s) 2-(1-Hexyl-heptyl)-9-[3-propyl-2-(1-propyl-butyl)-hexyl]-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
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Formula C53H68N2O4
InChI InChI=1S/C53H68N2O4/c1-7-13-15-17-23-36(24-18-16-14-8-2)55-52(58)43-31-27-39-37-25-29-41-48-42(30-26-38(46(37)48)40-28-32-44(53(55)59)49(43)47(39)40)51(57)54(50(41)56)33-45(34(19-9-3)20-10-4)35(21-11-5)22-12-6/h25-32,34-36,45H,7-24,33H2,1-6H3
InChIKey XZUQOKNOKLTEQS-UHFFFAOYSA-N
Molecular Weight 797.137 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(CCCCCC)CCCCCC)=O)=O)CC(C(CCC)CCC)C(CCC)CCC)=O
SPLASH splash10-006y-5109250500-3fde873e099fa9180b38
Source of Spectrum F-56-5439-5
Wiley ID 857815