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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))bis(4-chloroaniline)
SpectraBase Compound ID 7a8y4kGQUFK
InChI InChI=1S/C46H57Cl2N11/c1-12-57-37-23-13-29(39(49-33-19-15-31(47)16-20-33)41-51-53-55-58(41)45(8,9)27-43(2,3)4)25-35(37)36-26-30(14-24-38(36)57)40(50-34-21-17-32(48)18-22-34)42-52-54-56-59(42)46(10,11)28-44(5,6)7/h13-26,39-40,49-50H,12,27-28H2,1-11H3
InChIKey SIMYMGVZDOITLN-UHFFFAOYSA-N
Mol Weight 834.9 g/mol
Molecular Formula C46H57Cl2N11
Exact Mass 833.417546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lRb7zziIQO
Name N,N'-((9-Ethyl-9H-carbazole-3,6-diyl)bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methylene))bis(4-chloroaniline)
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H57Cl2N11
InChI InChI=1S/C46H57Cl2N11/c1-12-57-37-23-13-29(39(49-33-19-15-31(47)16-20-33)41-51-53-55-58(41)45(8,9)27-43(2,3)4)25-35(37)36-26-30(14-24-38(36)57)40(50-34-21-17-32(48)18-22-34)42-52-54-56-59(42)46(10,11)28-44(5,6)7/h13-26,39-40,49-50H,12,27-28H2,1-11H3
InChIKey SIMYMGVZDOITLN-UHFFFAOYSA-N
Instrument Name Agilent HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4206
Molecular Weight 834.945 g/mol
SMILES N(C(c1ccc2[n](c3ccc(C(c4nnn[n]4C(CC(C)(C)C)(C)C)Nc4ccc(cc4)Cl)cc3c2c1)CC)c1nnn[n]1C(CC(C)(C)C)(C)C)c1ccc(cc1)Cl
SPLASH splash10-0abc-6292100000-26d8304f32d36b3edd1f
Source of Spectrum Y-58-722-6j
Wiley ID 1879370