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N,N'-((9-methyl-9H-carbazole-3,6-diyl)bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methylene))dianiline
SpectraBase Compound ID E8BEelp3GXS
InChI InChI=1S/C45H57N11/c1-42(2,3)28-44(7,8)55-40(48-50-52-55)38(46-32-18-14-12-15-19-32)30-22-24-36-34(26-30)35-27-31(23-25-37(35)54(36)11)39(47-33-20-16-13-17-21-33)41-49-51-53-56(41)45(9,10)29-43(4,5)6/h12-27,38-39,46-47H,28-29H2,1-11H3
InChIKey YXHBUKLTKHDNNX-UHFFFAOYSA-N
Mol Weight 752.0 g/mol
Molecular Formula C45H57N11
Exact Mass 751.479841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETE6IDfGhhy
Name N,N'-((9-methyl-9H-carbazole-3,6-diyl)bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)methylene))dianiline
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H57N11
InChI InChI=1S/C45H57N11/c1-42(2,3)28-44(7,8)55-40(48-50-52-55)38(46-32-18-14-12-15-19-32)30-22-24-36-34(26-30)35-27-31(23-25-37(35)54(36)11)39(47-33-20-16-13-17-21-33)41-49-51-53-56(41)45(9,10)29-43(4,5)6/h12-27,38-39,46-47H,28-29H2,1-11H3
InChIKey YXHBUKLTKHDNNX-UHFFFAOYSA-N
Instrument Name Agilent HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4206
Molecular Weight 752.028 g/mol
SMILES N(C(c1ccc2[n](c3ccc(C(c4nnn[n]4C(CC(C)(C)C)(C)C)Nc4ccccc4)cc3c2c1)C)c1nnn[n]1C(CC(C)(C)C)(C)C)c1ccccc1
SPLASH splash10-052f-9020000000-c1a64356133b3ed49f5e
Source of Spectrum Y-58-720-6c
Wiley ID 1879364