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2-Amino-1-(p-chlorophenacyl)-4-nitroimidazole
SpectraBase Compound ID Jhp6cuIqqI3
InChI InChI=1S/C11H9ClN4O3/c12-8-3-1-7(2-4-8)9(17)5-15-6-10(16(18)19)14-11(15)13/h1-4,6H,5H2,(H2,13,14)
InChIKey WUBYCVXKCCUMKL-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 CeFuFqA0951
Name 2-Amino-1-(p-chlorophenacyl)-4-nitroimidazole
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)5-15-6-10(16(18)19)14-11(15)13/h1-4,6H,5H2,(H2,13,14)
InChIKey WUBYCVXKCCUMKL-UHFFFAOYSA-N
Molecular Weight 280.671 g/mol
SMILES Nc1nc(N(=O)=O)c[n]1CC(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0920000000-961aafabfb2fc61eb458
Source of Spectrum Y-47-1053-23
Synonyms 2-(2-amino-4-nitro-1-imidazolyl)-1-(4-chlorophenyl)ethanone 2-(2-amino-4-nitroimidazol-1-yl)-1-(4-chlorophenyl)ethanone 2-(2-azanyl-4-nitro-imidazol-1-yl)-1-(4-chlorophenyl)ethanone
Wiley ID 1667386