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5-(1-methyl-1H-imidazol-2-yl)-4-(4-nitrophenyl)-1-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID DwdESGvOlsF
InChI InChI=1S/C18H14N6O2/c1-22-12-11-19-18(22)17-16(13-7-9-15(10-8-13)24(25)26)20-21-23(17)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey REBVHOHIJBWORC-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C18H14N6O2
Exact Mass 346.117824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLXVM6CI83n
Name 5-(1-methyl-1H-imidazol-2-yl)-4-(4-nitrophenyl)-1-phenyl-1H-1,2,3-triazole
Appearance White solid
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Formula C18H14N6O2
InChI InChI=1S/C18H14N6O2/c1-22-12-11-19-18(22)17-16(13-7-9-15(10-8-13)24(25)26)20-21-23(17)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey REBVHOHIJBWORC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/asia.201900821
Molecular Weight 346.350 g/mol
Reported Formula C18H14N6O2
SMILES c1(nn[n](c1-c1ncc[n]1C)-c1ccccc1)-c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-014i-0119000000-06cc6476c419036ba90d
Source of Spectrum CAJ-14-SM14-25
Thin-Layer Chromatography Rf = 0.49 (petroleum ether/ethyl acetate, 1:1)
Wiley ID 1838380