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N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(methylimineimide)-9,10-imide
SpectraBase Compound ID 53enOFWXUyi
InChI InChI=1S/C39H39N3O4/c1-4-7-9-11-13-23(14-12-10-8-5-2)41-36(43)28-19-15-24-26-17-21-30-35-31(39(46)42(38(30)45)40-6-3)22-18-27(33(26)35)25-16-20-29(37(41)44)34(28)32(24)25/h6,15-23H,4-5,7-14H2,1-3H3/b40-6-
InChIKey NUFLJYKCDJXRDW-LZGMKXQWSA-N
Mol Weight 613.8 g/mol
Molecular Formula C39H39N3O4
Exact Mass 613.294057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jjgyy1bDzO4
Name N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(methylimineimide)-9,10-imide
Alternate Name(s) 2-Eth-(Z)-ylideneamino-9-(1-hexyl-heptyl)-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
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Formula C39H39N3O4
InChI InChI=1S/C39H39N3O4/c1-4-7-9-11-13-23(14-12-10-8-5-2)41-36(43)28-19-15-24-26-17-21-30-35-31(39(46)42(38(30)45)40-6-3)22-18-27(33(26)35)25-16-20-29(37(41)44)34(28)32(24)25/h6,15-23H,4-5,7-14H2,1-3H3/b40-6-
InChIKey NUFLJYKCDJXRDW-LZGMKXQWSA-N
Molecular Weight 613.758 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)\N=C/C)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0006-0009110000-a8f68fc5b9561fa2ec58
Source of Spectrum QE-4-2115-7
Wiley ID 843768