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4-Amino-1-(p-chlorophenacyl)-5-nitroimidazole
SpectraBase Compound ID IQWFsyRTYZK
InChI InChI=1S/C11H9ClN4O3/c12-8-3-1-7(2-4-8)9(17)5-15-6-14-10(13)11(15)16(18)19/h1-4,6H,5,13H2
InChIKey MLVZYGHKDQNBKB-UHFFFAOYSA-N
Mol Weight 280.67 g/mol
Molecular Formula C11H9ClN4O3
Exact Mass 280.036318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uBYYeEppoA
Name 4-Amino-1-(p-chlorophenacyl)-5-nitroimidazole
Alternate Name(s) 2-(4-amino-5-nitro-1-imidazolyl)-1-(4-chlorophenyl)ethanone 2-(4-amino-5-nitroimidazol-1-yl)-1-(4-chlorophenyl)ethanone 2-(4-azanyl-5-nitro-imidazol-1-yl)-1-(4-chlorophenyl)ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C11H9ClN4O3
InChI InChI=1S/C11H9ClN4O3/c12-8-3-1-7(2-4-8)9(17)5-15-6-14-10(13)11(15)16(18)19/h1-4,6H,5,13H2
InChIKey MLVZYGHKDQNBKB-UHFFFAOYSA-N
Molecular Weight 280.671 g/mol
SMILES Nc1nc[n](c1N(=O)=O)CC(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0910000000-afceab0ced2ed88406ce
Source of Spectrum Y-47-1054-36
Wiley ID 1667373