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2-(4-Methoxyphenyl)-2H-benzo[4,5]imidazo[1,2-a][1,2,3]-triazolo[4,5-e]pyrimidine
SpectraBase Compound ID UosxzloGbP
InChI InChI=1S/C17H12N6O/c1-24-12-8-6-11(7-9-12)23-20-14-10-18-17-19-13-4-2-3-5-15(13)22(17)16(14)21-23/h2-10H,1H3
InChIKey YOBGSYXDEQFXQD-UHFFFAOYSA-N
Mol Weight 316.32 g/mol
Molecular Formula C17H12N6O
Exact Mass 316.107259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXuBd358FSo
Name 2-(4-Methoxyphenyl)-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 C17H12N6O
InChI InChI=1S/C17H12N6O/c1-24-12-8-6-11(7-9-12)23-20-14-10-18-17-19-13-4-2-3-5-15(13)22(17)16(14)21-23/h2-10H,1H3
InChIKey YOBGSYXDEQFXQD-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00760
Molecular Weight 316.324 g/mol
SMILES COc1ccc(cc1)-[n]1nc-2c(C=Nc3[n]2c2c(n3)cccc2)n1
SPLASH splash10-014i-8409000000-6522c0ca9ed6779c40e7
Source of Spectrum JOC-86-SM33-8a
Thin-Layer Chromatography Rf = 0.4 (CHCl3)
Wiley ID 1867785