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N,N'-1,8 : 4,5-Naphthalene(tetracarboxodiimido)-[3]-4,5,9,10-tetrahydropyrenophane
SpectraBase Compound ID DfzA2Vc7da3
InChI InChI=1S/C36H28N2O4/c39-33-25-9-11-27-32-28-12-10-26(31(25)32)34(40)37(33)13-1-3-19-15-21-5-7-23-17-20(4-2-14-38(35(27)41)36(28)42)18-24-8-6-22(16-19)29(21)30(23)24/h9-12,15-18H,1-8,13-14H2
InChIKey IRNXUFAKKZYSOS-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C36H28N2O4
Exact Mass 552.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHbuMNwoomX
Name N,N'-1,8 : 4,5-Naphthalene(tetracarboxodiimido)-[3]-4,5,9,10-tetrahydropyrenophane
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Formula C36H28N2O4
InChI InChI=1S/C36H28N2O4/c39-33-25-9-11-27-32-28-12-10-26(31(25)32)34(40)37(33)13-1-3-19-15-21-5-7-23-17-20(4-2-14-38(35(27)41)36(28)42)18-24-8-6-22(16-19)29(21)30(23)24/h9-12,15-18H,1-8,13-14H2
InChIKey IRNXUFAKKZYSOS-UHFFFAOYSA-N
Molecular Weight 552.630 g/mol
SMILES C1(N2C(c3c4c5c(C(N(C(c5ccc14)=O)CCCc1cc4c5-c6c(cc(cc6CC4)CCC2)CCc5c1)=O)cc3)=O)=O
SPLASH splash10-0udi-0020090000-3c87fda9faca3942a038
Source of Spectrum U-1997-1555-0
Wiley ID 769954