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4-(5-iodanyl-2-methyl-4-nitro-imidazol-1-yl)butan-2-one
SpectraBase Compound ID KTw976uSjW7
InChI InChI=1S/C8H10IN3O3/c1-5(13)3-4-11-6(2)10-8(7(11)9)12(14)15/h3-4H2,1-2H3
InChIKey GQWWSIRSISGUPR-UHFFFAOYSA-N
Mol Weight 323.09 g/mol
Molecular Formula C8H10IN3O3
Exact Mass 322.976686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqTVvZHfmVj
Name 4-(5-iodanyl-2-methyl-4-nitro-imidazol-1-yl)butan-2-one
Alternate Name(s) 4-(5-iodo-2-methyl-4-nitro-1-imidazolyl)-2-butanone 4-(5-iodo-2-methyl-4-nitro-imidazol-1-yl)butan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C8H10IN3O3
InChI InChI=1S/C8H10IN3O3/c1-5(13)3-4-11-6(2)10-8(7(11)9)12(14)15/h3-4H2,1-2H3
InChIKey GQWWSIRSISGUPR-UHFFFAOYSA-N
Molecular Weight 323.090 g/mol
SMILES c1(nc(C)[n](c1I)CCC(=O)C)N(=O)=O
SPLASH splash10-00di-0009000000-4e18812cc5a60e7144f4
Source of Spectrum SK-24-360-2
Wiley ID 866047