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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(3,4-dimethylaniline)
SpectraBase Compound ID 4MboDIvl5i6
InChI InChI=1S/C50H67N11/c1-16-59-41-23-19-35(43(51-37-21-17-31(2)33(4)25-37)45-53-55-57-60(45)49(12,13)29-47(6,7)8)27-39(41)40-28-36(20-24-42(40)59)44(52-38-22-18-32(3)34(5)26-38)46-54-56-58-61(46)50(14,15)30-48(9,10)11/h17-28,43-44,51-52H,16,29-30H2,1-15H3
InChIKey BSSLVEKRGBZMGH-UHFFFAOYSA-N
Mol Weight 822.2 g/mol
Molecular Formula C50H67N11
Exact Mass 821.558091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rP5qZR7fjx
Name N,N'-((9-ethyl-9H-carbazole-3,6-diyl)bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methylene))bis(3,4-dimethylaniline)
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H67N11
InChI InChI=1S/C50H67N11/c1-16-59-41-23-19-35(43(51-37-21-17-31(2)33(4)25-37)45-53-55-57-60(45)49(12,13)29-47(6,7)8)27-39(41)40-28-36(20-24-42(40)59)44(52-38-22-18-32(3)34(5)26-38)46-54-56-58-61(46)50(14,15)30-48(9,10)11/h17-28,43-44,51-52H,16,29-30H2,1-15H3
InChIKey BSSLVEKRGBZMGH-UHFFFAOYSA-N
Instrument Name Agilent HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4206
Molecular Weight 822.163 g/mol
SMILES N(C(c1ccc2[n](c3ccc(C(c4nnn[n]4C(CC(C)(C)C)(C)C)Nc4cc(c(cc4)C)C)cc3c2c1)CC)c1nnn[n]1C(CC(C)(C)C)(C)C)c1cc(c(cc1)C)C
SPLASH splash10-0006-5491000000-b40ad493e097ed1023bb
Source of Spectrum Y-58-721-6f
Wiley ID 1879367