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N,N'-((9-methyl-9H-carbazole-3,6-diyl)bis((1-(tert-butyl)-1H-tetrazol-5-yl)methylene))bis(3,4-dimethylaniline)
SpectraBase Compound ID KvM4SgBZ9AI
InChI InChI=1S/C41H49N11/c1-24-12-16-30(20-26(24)3)42-36(38-44-46-48-51(38)40(5,6)7)28-14-18-34-32(22-28)33-23-29(15-19-35(33)50(34)11)37(39-45-47-49-52(39)41(8,9)10)43-31-17-13-25(2)27(4)21-31/h12-23,36-37,42-43H,1-11H3
InChIKey XHONFCQLWWHGOQ-UHFFFAOYSA-N
Mol Weight 695.9 g/mol
Molecular Formula C41H49N11
Exact Mass 695.417241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WmgaT4mcyA
Name N,N'-((9-methyl-9H-carbazole-3,6-diyl)bis((1-(tert-butyl)-1H-tetrazol-5-yl)methylene))bis(3,4-dimethylaniline)
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H49N11
InChI InChI=1S/C41H49N11/c1-24-12-16-30(20-26(24)3)42-36(38-44-46-48-51(38)40(5,6)7)28-14-18-34-32(22-28)33-23-29(15-19-35(33)50(34)11)37(39-45-47-49-52(39)41(8,9)10)43-31-17-13-25(2)27(4)21-31/h12-23,36-37,42-43H,1-11H3
InChIKey XHONFCQLWWHGOQ-UHFFFAOYSA-N
Instrument Name Agilent HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4206
Molecular Weight 695.920 g/mol
SMILES N(C(c1ccc2[n](c3ccc(C(c4nnn[n]4C(C)(C)C)Nc4cc(c(cc4)C)C)cc3c2c1)C)c1nnn[n]1C(C)(C)C)c1cc(c(cc1)C)C
SPLASH splash10-0006-9051000000-cdd7375670083ab4f7ab
Source of Spectrum Y-58-721-6e
Wiley ID 1879366