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N-[1'-Hexylheptyl]-9-nitroperylene-3,4-dicarboxamide
SpectraBase Compound ID 1KMZhTelHf9
InChI InChI=1S/C35H36N2O4/c1-3-5-7-9-12-22(13-10-8-6-4-2)36-34(38)28-18-16-25-23-14-11-15-27-30(37(40)41)21-20-24(31(23)27)26-17-19-29(35(36)39)33(28)32(25)26/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey PUARYHPMEVSYOG-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C35H36N2O4
Exact Mass 548.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3FLHhe2AmA
Name N-[1'-Hexylheptyl]-9-nitroperylene-3,4-dicarboxamide
Alternate Name(s) 2-(1-hexylheptyl)-8-nitro-1H-benzo[10,5]anthra[2,1,9-def]isoquinoline-1,3(2H)-dione
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Formula C35H36N2O4
InChI InChI=1S/C35H36N2O4/c1-3-5-7-9-12-22(13-10-8-6-4-2)36-34(38)28-18-16-25-23-14-11-15-27-30(37(40)41)21-20-24(31(23)27)26-17-19-29(35(36)39)33(28)32(25)26/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey PUARYHPMEVSYOG-UHFFFAOYSA-N
Molecular Weight 548.683 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1cccc3c1c(c4cc2)ccc3N(=O)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0159-6009010000-c3027e96e5f4340fa8db
Source of Spectrum U-1995-1241-7
Wiley ID 767263