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3-Acetyl-1-(4-iodophenyl)-5-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID LqkC285kac9
InChI InChI=1S/C17H14IN3O2/c1-11(22)16-19-15(12-5-3-2-4-6-12)17(23)21(20-16)14-9-7-13(18)8-10-14/h2-10,15H,1H3,(H,19,20)
InChIKey ZBAOESCNEZEKAS-UHFFFAOYSA-N
Mol Weight 419.22 g/mol
Molecular Formula C17H14IN3O2
Exact Mass 419.013072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LqIhhgnRo
Name 3-Acetyl-1-(4-iodophenyl)-5-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
Alternate Name(s) 3-Acetyl-1-(4-iodophenyl)-5-phenyl-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-1-(4-iodophenyl)-5-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-Ethanoyl-1-(4-iodophenyl)-5-phenyl-2,5-dihydro-1,2,4-triazin-6-one
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Formula C17H14IN3O2
InChI InChI=1S/C17H14IN3O2/c1-11(22)16-19-15(12-5-3-2-4-6-12)17(23)21(20-16)14-9-7-13(18)8-10-14/h2-10,15H,1H3,(H,19,20)
InChIKey ZBAOESCNEZEKAS-UHFFFAOYSA-N
Molecular Weight 419.222 g/mol
SMILES N1C(=NN(C(C1c1ccccc1)=O)c1ccc(cc1)I)C(=O)C
SPLASH splash10-01ox-9313200000-ec444adad69dfabd08a2
Wiley ID 1475739