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8,9-Difluoro-2-(4-nitrophenyl)-2H-benzo[4,5]imidazo[1,2-a]-[1,2,3]triazolo[4,5-e]pyrimidine
SpectraBase Compound ID 8a3uMUYzfqg
InChI InChI=1S/C16H7F2N7O2/c17-10-5-12-14(6-11(10)18)23-15-13(7-19-16(23)20-12)21-24(22-15)8-1-3-9(4-2-8)25(26)27/h1-7H
InChIKey DGADACMHLNLEKC-UHFFFAOYSA-N
Mol Weight 367.28 g/mol
Molecular Formula C16H7F2N7O2
Exact Mass 367.062929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lOVJAqvlxg
Name 8,9-Difluoro-2-(4-nitrophenyl)-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 C16H7F2N7O2
InChI InChI=1S/C16H7F2N7O2/c17-10-5-12-14(6-11(10)18)23-15-13(7-19-16(23)20-12)21-24(22-15)8-1-3-9(4-2-8)25(26)27/h1-7H
InChIKey DGADACMHLNLEKC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00760
Molecular Weight 367.276 g/mol
SMILES c1(F)c(cc2c(nc3[n]2-c2c(C=N3)n[n](n2)-c2ccc(cc2)[N+]([O-])=O)c1)F
SPLASH splash10-014i-6419000000-e50c35cb26d991ef6593
Source of Spectrum JOC-86-SM51-9e
Thin-Layer Chromatography Rf = 0.4 (CHCl3)
Wiley ID 1867794