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5-Amino-1-(p-chlorophenacyl)-2-methyl-4-nitroimidazole
SpectraBase Compound ID LC1Z0mDqYYq
InChI InChI=1S/C12H11ClN4O3/c1-7-15-12(17(19)20)11(14)16(7)6-10(18)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3
InChIKey VXKGAOUUBOIIRN-UHFFFAOYSA-N
Mol Weight 294.7 g/mol
Molecular Formula C12H11ClN4O3
Exact Mass 294.051968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kYT0pdJMkB
Name 5-Amino-1-(p-chlorophenacyl)-2-methyl-4-nitroimidazole
Alternate Name(s) 2-(5-amino-2-methyl-4-nitro-1-imidazolyl)-1-(4-chlorophenyl)ethanone 2-(5-amino-2-methyl-4-nitroimidazol-1-yl)-1-(4-chlorophenyl)ethanone 2-(5-azanyl-2-methyl-4-nitro-imidazol-1-yl)-1-(4-chlorophenyl)ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C12H11ClN4O3
InChI InChI=1S/C12H11ClN4O3/c1-7-15-12(17(19)20)11(14)16(7)6-10(18)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3
InChIKey VXKGAOUUBOIIRN-UHFFFAOYSA-N
Molecular Weight 294.698 g/mol
SMILES Nc1[n](CC(c2ccc(cc2)Cl)=O)c(nc1N(=O)=O)C
SPLASH splash10-000i-0940000000-28e898bf65dab103c95a
Source of Spectrum Y-47-1054-38
Wiley ID 1667371