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1,4-Bis(4-((3,6-dichloro-9H-carbazol-9-yl)methyl)-1H-1,2,3-triazol-1-yl)benzene
SpectraBase Compound ID HOq8dcp3Pob
InChI InChI=1S/C36H22Cl4N8/c37-21-1-9-33-29(13-21)30-14-22(38)2-10-34(30)45(33)17-25-19-47(43-41-25)27-5-7-28(8-6-27)48-20-26(42-44-48)18-46-35-11-3-23(39)15-31(35)32-16-24(40)4-12-36(32)46/h1-16,19-20H,17-18H2
InChIKey SLLDRTQIOAUYKY-UHFFFAOYSA-N
Mol Weight 708.4 g/mol
Molecular Formula C36H22Cl4N8
Exact Mass 706.072154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKtyaDosd8L
Name 1,4-Bis(4-((3,6-dichloro-9H-carbazol-9-yl)methyl)-1H-1,2,3-triazol-1-yl)benzene
Appearance Buff crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 706.072153540 u
Formula C36H22Cl4N8
InChI InChI=1S/C36H22Cl4N8/c37-21-1-9-33-29(13-21)30-14-22(38)2-10-34(30)45(33)17-25-19-47(43-41-25)27-5-7-28(8-6-27)48-20-26(42-44-48)18-46-35-11-3-23(39)15-31(35)32-16-24(40)4-12-36(32)46/h1-16,19-20H,17-18H2
InChIKey SLLDRTQIOAUYKY-UHFFFAOYSA-N
Instrument Name Trace GC 2000/Finnegan Mat SSQ 7000 or Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1966
Molecular Weight 708.440 g/mol
Quality 154
SMILES C1(Cl)=CC=2C3=C(N(C2C=C1)CC=1N=NN(C1)C1=CC=C(C=C1)N1C=C(CN2C4=CC=C(C=C4C4=CC(=CC=C24)Cl)Cl)N=N1)C=CC(=C3)Cl
SPLASH splash10-000i-0009200100-a072024fa671f8bd0d3c
Source of Spectrum Y-52-1721-13 (DOI: 10.1002/jhet.1966)
Wiley ID 1902548