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(E)-12c-[4-(4-Cyanophenyldiazenyl)phenyl]ethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
SpectraBase Compound ID JKVm74esqLT
InChI InChI=1S/C43H38N6/c1-4-26-47-34-10-7-12-36-40(34)43(25-24-30-16-20-32(21-17-30)45-46-33-22-18-31(29-44)19-23-33)41-35(47)11-8-13-37(41)49(28-6-3)39-15-9-14-38(42(39)43)48(36)27-5-2/h7-23H,4-6,26-28H2,1-3H3/b46-45+
InChIKey OFSIFRLTZFVFSX-XVIFHXHVSA-N
Mol Weight 638.8 g/mol
Molecular Formula C43H38N6
Exact Mass 638.315795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABLibAZh8W6
Name (E)-12c-[4-(4-Cyanophenyldiazenyl)phenyl]ethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
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Formula C43H38N6
InChI InChI=1S/C43H38N6/c1-4-26-47-34-10-7-12-36-40(34)43(25-24-30-16-20-32(21-17-30)45-46-33-22-18-31(29-44)19-23-33)41-35(47)11-8-13-37(41)49(28-6-3)39-15-9-14-38(42(39)43)48(36)27-5-2/h7-23H,4-6,26-28H2,1-3H3/b46-45+
InChIKey OFSIFRLTZFVFSX-XVIFHXHVSA-N
Molecular Weight 638.819 g/mol
SMILES C12(c3c4cccc3N(c3c1c(N(CCC)c1c2c(N4CCC)ccc1)ccc3)CCC)C#Cc1ccc(\N=N\c2ccc(C#N)cc2)cc1
SPLASH splash10-0uxr-0921100000-78fb91df14e55dcacbf8
Source of Spectrum U1-2010-5051-8a
Wiley ID 1710848