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N-[1-(Octylnonyl)perylene]-3,4-dicarboximide
SpectraBase Compound ID Cu1raJOVTAm
InChI InChI=1S/C39H45NO2/c1-3-5-7-9-11-13-19-28(20-14-12-10-8-6-4-2)40-38(41)33-25-23-31-29-21-15-17-27-18-16-22-30(35(27)29)32-24-26-34(39(40)42)37(33)36(31)32/h15-18,21-26,28H,3-14,19-20H2,1-2H3
InChIKey KSFPPURJZRSDJT-UHFFFAOYSA-N
Mol Weight 559.8 g/mol
Molecular Formula C39H45NO2
Exact Mass 559.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J0fTQI5OiK
Name N-[1-(Octylnonyl)perylene]-3,4-dicarboximide
Alternate Name(s) 2-(1-octylnonyl)-1H-benzo[10,5]anthra[2,1,9-def]isoquinoline-1,3(2H)-dione
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Formula C39H45NO2
InChI InChI=1S/C39H45NO2/c1-3-5-7-9-11-13-19-28(20-14-12-10-8-6-4-2)40-38(41)33-25-23-31-29-21-15-17-27-18-16-22-30(35(27)29)32-24-26-34(39(40)42)37(33)36(31)32/h15-18,21-26,28H,3-14,19-20H2,1-2H3
InChIKey KSFPPURJZRSDJT-UHFFFAOYSA-N
Molecular Weight 559.794 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1cccc3c1c(c4cc2)ccc3)=O)C(CCCCCCCC)CCCCCCCC)=O
SPLASH splash10-00di-0009040000-95c9ac3556fa0452ebea
Source of Spectrum U-1995-1235-2
Wiley ID 767284