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N,N'-((9-ethyl-9H-carbazole-3,6-diyl)bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methylene))dianiline
SpectraBase Compound ID Cl6QHlwie6l
InChI InChI=1S/C46H59N11/c1-12-55-37-25-23-31(39(47-33-19-15-13-16-20-33)41-49-51-53-56(41)45(8,9)29-43(2,3)4)27-35(37)36-28-32(24-26-38(36)55)40(48-34-21-17-14-18-22-34)42-50-52-54-57(42)46(10,11)30-44(5,6)7/h13-28,39-40,47-48H,12,29-30H2,1-11H3
InChIKey DJUMCDCSBJCJSD-UHFFFAOYSA-N
Mol Weight 766.1 g/mol
Molecular Formula C46H59N11
Exact Mass 765.495491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sQi6GUH3xm
Name N,N'-((9-ethyl-9H-carbazole-3,6-diyl)bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methylene))dianiline
Appearance Light yellow solid
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Formula C46H59N11
InChI InChI=1S/C46H59N11/c1-12-55-37-25-23-31(39(47-33-19-15-13-16-20-33)41-49-51-53-56(41)45(8,9)29-43(2,3)4)27-35(37)36-28-32(24-26-38(36)55)40(48-34-21-17-14-18-22-34)42-50-52-54-57(42)46(10,11)30-44(5,6)7/h13-28,39-40,47-48H,12,29-30H2,1-11H3
InChIKey DJUMCDCSBJCJSD-UHFFFAOYSA-N
Instrument Name Agilent HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4206
Molecular Weight 766.055 g/mol
SMILES N(C(c1ccc2[n](c3ccc(C(c4nnn[n]4C(CC(C)(C)C)(C)C)Nc4ccccc4)cc3c2c1)CC)c1nnn[n]1C(CC(C)(C)C)(C)C)c1ccccc1
SPLASH splash10-0006-9310000000-6e0d15e23da5b9252398
Source of Spectrum Y-58-720-6b
Wiley ID 1879363