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Bis[2-(1-hexylheptyl)-6-perylen-3,10-yl-benzo[de]isoquinolin-1,3-dione]
SpectraBase Compound ID AjhCyuQA0Kc
InChI InChI=1S/C70H74N2O4/c1-5-9-13-17-25-45(26-18-14-10-6-2)71-67(73)59-35-23-31-53-49(39-43-61(65(53)59)69(71)75)47-37-41-57-58-42-38-48(52-30-22-34-56(64(52)58)55-33-21-29-51(47)63(55)57)50-40-44-62-66-54(50)32-24-36-60(66)68(74)72(70(62)76)46(27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-46H,5-20,25-28H2,1-4H3
InChIKey GQNYKWHFZVFARL-UHFFFAOYSA-N
Mol Weight 1007.4 g/mol
Molecular Formula C70H74N2O4
Exact Mass 1006.564859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8fhjNBx8GA
Name Bis[2-(1-hexylheptyl)-6-perylen-3,10-yl-benzo[de]isoquinolin-1,3-dione]
Appearance Yellow solid
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Formula C70H74N2O4
InChI InChI=1S/C70H74N2O4/c1-5-9-13-17-25-45(26-18-14-10-6-2)71-67(73)59-35-23-31-53-49(39-43-61(65(53)59)69(71)75)47-37-41-57-58-42-38-48(52-30-22-34-56(64(52)58)55-33-21-29-51(47)63(55)57)50-40-44-62-66-54(50)32-24-36-60(66)68(74)72(70(62)76)46(27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-46H,5-20,25-28H2,1-4H3
InChIKey GQNYKWHFZVFARL-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Molecular Weight 1007.372 g/mol
Reported Formula C70H742O4
SMILES c1(ccc2C(=O)N(C(CCCCCC)CCCCCC)C(=O)c3c2c1ccc3)-c1c2cccc3c2c(cc1)c1c2c3cccc2c(cc1)-c1c2cccc3c2c(cc1)C(N(C3=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0a6u-9002030000-2773cf14adcb9cd20460
Source of Spectrum EP2925817A2
Thin-Layer Chromatography Rf = 0.85 (Silica gel/Chloroform)
Wiley ID 1850475