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3-methyl-2-[[(2-nitrophenyl)-oxomethyl]amino]butanoic acid methyl ester
SpectraBase Compound ID 3QjxivuTKXI
InChI InChI=1S/C13H16N2O5/c1-8(2)11(13(17)20-3)14-12(16)9-6-4-5-7-10(9)15(18)19/h4-8,11H,1-3H3,(H,14,16)/t11-/m0/s1
InChIKey SCVIRXRHPMRMGK-NSHDSACASA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUoF8kStJvc
Name 3-methyl-2-[[(2-nitrophenyl)-oxomethyl]amino]butanoic acid methyl ester
Alternate Name(s) methyl 3-methyl-2-[(2-nitrobenzoyl)amino]butanoate methyl 3-methyl-2-[(2-nitrophenyl)carbonylamino]butanoate (2S)-3-methyl-2-[[(2-nitrophenyl)-oxomethyl]amino]butanoic acid methyl ester methyl (2S)-3-methyl-2-[(2-nitrobenzoyl)amino]butanoate methyl (2S)-3-methyl-2-[(2-nitrophenyl)carbonylamino]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-8(2)11(13(17)20-3)14-12(16)9-6-4-5-7-10(9)15(18)19/h4-8,11H,1-3H3,(H,14,16)/t11-/m0/s1
InChIKey SCVIRXRHPMRMGK-NSHDSACASA-N
Molecular Weight 280.280 g/mol
SMILES N(C(c1c(N(=O)=O)cccc1)=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-0udi-0940000000-0ff1bd798d3cca53a2f9
Source of Spectrum F-52-9783-11
Wiley ID 797876