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4-Amino-1-(3-chloro-2-oxopropyl)-2-methyl-5-nitroimidazole
SpectraBase Compound ID CbH4pQgj4SX
InChI InChI=1S/C7H9ClN4O3/c1-4-10-6(9)7(12(14)15)11(4)3-5(13)2-8/h2-3,9H2,1H3
InChIKey RVSGBRAPRCOWBT-UHFFFAOYSA-N
Mol Weight 232.63 g/mol
Molecular Formula C7H9ClN4O3
Exact Mass 232.036318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjknrNZJNVM
Name 4-Amino-1-(3-chloro-2-oxopropyl)-2-methyl-5-nitroimidazole
Alternate Name(s) 1-(4-amino-2-methyl-5-nitro-1-imidazolyl)-3-chloro-2-propanone 1-(4-amino-2-methyl-5-nitroimidazol-1-yl)-3-chloropropan-2-one 1-(4-amino-2-methyl-5-nitro-imidazol-1-yl)-3-chloro-propan-2-one 1-(4-azanyl-2-methyl-5-nitro-imidazol-1-yl)-3-chloranyl-propan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C7H9ClN4O3
InChI InChI=1S/C7H9ClN4O3/c1-4-10-6(9)7(12(14)15)11(4)3-5(13)2-8/h2-3,9H2,1H3
InChIKey RVSGBRAPRCOWBT-UHFFFAOYSA-N
Molecular Weight 232.627 g/mol
SMILES Nc1c([n](c(C)n1)CC(=O)CCl)N(=O)=O
SPLASH splash10-0159-9060000000-8dcebc5d41c809113558
Source of Spectrum Y-47-1054-31
Wiley ID 1667378