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2-(4-Chlorophenyl)-2H-benzo[4,5]imidazo[1,2-a][1,2,3]triazolo-[4,5-e]pyrimidine
SpectraBase Compound ID DucFsZH5Q9u
InChI InChI=1S/C16H9ClN6/c17-10-5-7-11(8-6-10)23-20-13-9-18-16-19-12-3-1-2-4-14(12)22(16)15(13)21-23/h1-9H
InChIKey BNMVLJDSJCLNMC-UHFFFAOYSA-N
Mol Weight 320.74 g/mol
Molecular Formula C16H9ClN6
Exact Mass 320.057722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QYpHgXIlNU
Name 2-(4-Chlorophenyl)-2H-benzo[4,5]imidazo[1,2-a][1,2,3]triazolo-[4,5-e]pyrimidine
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9ClN6
InChI InChI=1S/C16H9ClN6/c17-10-5-7-11(8-6-10)23-20-13-9-18-16-19-12-3-1-2-4-14(12)22(16)15(13)21-23/h1-9H
InChIKey BNMVLJDSJCLNMC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00760
Molecular Weight 320.743 g/mol
SMILES c1(-[n]2nc-3c(C=Nc4[n]3c3c(n4)cccc3)n2)ccc(cc1)Cl
SPLASH splash10-00di-6809000000-d219ec4a15e63071184e
Source of Spectrum JOC-86-SM39-8d
Thin-Layer Chromatography Rf = 0.4 (CHCl3)
Wiley ID 1867788