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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(2-bromoaniline)
SpectraBase Compound ID LffarAludka
InChI InChI=1S/C46H57Br2N11/c1-12-57-37-23-21-29(39(49-35-19-15-13-17-33(35)47)41-51-53-55-58(41)45(8,9)27-43(2,3)4)25-31(37)32-26-30(22-24-38(32)57)40(50-36-20-16-14-18-34(36)48)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 GNOKGXLPRSSSPY-UHFFFAOYSA-N
Mol Weight 923.8 g/mol
Molecular Formula C46H57Br2N11
Exact Mass 921.316517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21j1G9IrQ2
Name N,N'-((9-ethyl-9H-carbazole-3,6-diyl)bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methylene))bis(2-bromoaniline)
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H57Br2N11
InChI InChI=1S/C46H57Br2N11/c1-12-57-37-23-21-29(39(49-35-19-15-13-17-33(35)47)41-51-53-55-58(41)45(8,9)27-43(2,3)4)25-31(37)32-26-30(22-24-38(32)57)40(50-36-20-16-14-18-34(36)48)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 GNOKGXLPRSSSPY-UHFFFAOYSA-N
Instrument Name Agilent HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4206
Molecular Weight 923.847 g/mol
SMILES N(C(c1ccc2[n](c3ccc(C(c4nnn[n]4C(C)(C)CC(C)(C)C)Nc4c(cccc4)Br)cc3c2c1)CC)c1nnn[n]1C(C)(C)CC(C)(C)C)c1c(cccc1)Br
SPLASH splash10-05fu-7391200000-36950035e2b228da2405
Source of Spectrum Y-58-722-6l
Wiley ID 1879372