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N,N'-bis[4-(6'-methyl-2,2'-bipyridin-6-yl)but-3-ynyl]naphthalene-1,8:4,5-tetracarboximide
SpectraBase Compound ID D6EDjxnaGvn
InChI InChI=1S/C44H30N6O4/c1-27-11-7-17-35(45-27)37-19-9-15-29(47-37)13-3-5-25-49-41(51)31-21-23-33-40-34(24-22-32(39(31)40)42(49)52)44(54)50(43(33)53)26-6-4-14-30-16-10-20-38(48-30)36-18-8-12-28(2)46-36/h7-12,15-24H,5-6,25-26H2,1-2H3
InChIKey UHJMRTYYOZAZMG-UHFFFAOYSA-N
Mol Weight 706.8 g/mol
Molecular Formula C44H30N6O4
Exact Mass 706.232853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2PCUUcVecG
Name N,N'-bis[4-(6'-methyl-2,2'-bipyridin-6-yl)but-3-ynyl]naphthalene-1,8:4,5-tetracarboximide
Alternate Name(s) 6,13-bis({4-[6-(6-methylpyridin-2-yl)pyridin-2-yl]but-3-yn-1-yl})-6,13-diazatetracyclo[6.6.2.0(4,16).0(11,15)]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
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Formula C44H30N6O4
InChI InChI=1S/C44H30N6O4/c1-27-11-7-17-35(45-27)37-19-9-15-29(47-37)13-3-5-25-49-41(51)31-21-23-33-40-34(24-22-32(39(31)40)42(49)52)44(54)50(43(33)53)26-6-4-14-30-16-10-20-38(48-30)36-18-8-12-28(2)46-36/h7-12,15-24H,5-6,25-26H2,1-2H3
InChIKey UHJMRTYYOZAZMG-UHFFFAOYSA-N
Molecular Weight 706.762 g/mol
SMILES C1(N(C(c2ccc3C(N(C(c4ccc1c2c34)=O)CCC#Cc1nc(-c2nc(C)ccc2)ccc1)=O)=O)CCC#Cc1nc(-c2nc(C)ccc2)ccc1)=O
SPLASH splash10-0f89-8931350000-2ed4e348115cf5759979
Source of Spectrum KA-0-2725-0
Wiley ID 1415230