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2-(N-methyl-4-nitroanilino)-3-oxobutanoic acid methyl ester
SpectraBase Compound ID AaRgWjkYEGd
InChI InChI=1S/C12H14N2O5/c1-8(15)11(12(16)19-3)13(2)9-4-6-10(7-5-9)14(17)18/h4-7,11H,1-3H3
InChIKey PBJIFURPZVBAHV-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C12H14N2O5
Exact Mass 266.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qWjCpsxUGG
Name 2-(N-methyl-4-nitroanilino)-3-oxobutanoic acid methyl ester
Alternate Name(s) 3-keto-2-(N-methyl-4-nitro-anilino)butyric acid methyl ester Methyl 2-(N-methyl-4-nitro-anilino)-3-oxo-butanoate Methyl 2-[methyl-(4-nitrophenyl)amino]-3-oxidanylidene-butanoate
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Formula C12H14N2O5
InChI InChI=1S/C12H14N2O5/c1-8(15)11(12(16)19-3)13(2)9-4-6-10(7-5-9)14(17)18/h4-7,11H,1-3H3
InChIKey PBJIFURPZVBAHV-UHFFFAOYSA-N
Molecular Weight 266.253 g/mol
SMILES C(C(C(C)=O)N(C)c1ccc(cc1)N(=O)=O)(=O)OC
SPLASH splash10-03di-0940000000-71021edde363b0e01691
Source of Spectrum K-2002-1677-3
Wiley ID 1612856