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2-Phenyl-2H-benzo[4,5]imidazo[1,2-a][1,2,3]triazolo[4,5-e]pyrimidine
SpectraBase Compound ID ITwKwaCH6B4
InChI InChI=1S/C16H10N6/c1-2-6-11(7-3-1)22-19-13-10-17-16-18-12-8-4-5-9-14(12)21(16)15(13)20-22/h1-10H
InChIKey IHELJJGFMNDGNE-UHFFFAOYSA-N
Mol Weight 286.3 g/mol
Molecular Formula C16H10N6
Exact Mass 286.096694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2y5HTtXqoJi
Name 2-Phenyl-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 C16H10N6
InChI InChI=1S/C16H10N6/c1-2-6-11(7-3-1)22-19-13-10-17-16-18-12-8-4-5-9-14(12)21(16)15(13)20-22/h1-10H
InChIKey IHELJJGFMNDGNE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00760
Molecular Weight 286.298 g/mol
SMILES c1(-[n]2nc-3c(C=Nc4[n]3c3c(n4)cccc3)n2)ccccc1
SPLASH splash10-000i-9380000000-003e86d7526cb17e2226
Source of Spectrum JOC-86-SM37-8c
Thin-Layer Chromatography Rf = 0.4 (CHCl3)
Wiley ID 1867787