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N,N'-1,8 : 4,5-Naphthalene(tetracarboxodiimido)-[4]pyrenophane
SpectraBase Compound ID LRi5417N0Xl
InChI InChI=1S/C38H28N2O4/c41-35-27-11-13-29-34-30-14-12-28(33(27)34)36(42)39(35)15-3-1-5-21-17-23-7-9-25-19-22(6-2-4-16-40(37(29)43)38(30)44)20-26-10-8-24(18-21)31(23)32(25)26/h7-14,17-20H,1-6,15-16H2
InChIKey FSRJVSMTHSXZAP-UHFFFAOYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C38H28N2O4
Exact Mass 576.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32hBb0qdPhV
Name N,N'-1,8 : 4,5-Naphthalene(tetracarboxodiimido)-[4]pyrenophane
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Formula C38H28N2O4
InChI InChI=1S/C38H28N2O4/c41-35-27-11-13-29-34-30-14-12-28(33(27)34)36(42)39(35)15-3-1-5-21-17-23-7-9-25-19-22(6-2-4-16-40(37(29)43)38(30)44)20-26-10-8-24(18-21)31(23)32(25)26/h7-14,17-20H,1-6,15-16H2
InChIKey FSRJVSMTHSXZAP-UHFFFAOYSA-N
Molecular Weight 576.652 g/mol
SMILES C1(N2C(c3ccc4C(N(C(c5c4c3c1cc5)=O)CCCCc1cc3c4c5c(cc(cc5cc3)CCCC2)ccc4c1)=O)=O)=O
SPLASH splash10-004i-0030090000-40f95e7449b831aed56a
Source of Spectrum U-1997-1556-2
Wiley ID 769949