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(2S)-2-[1,3-dioxobutyl(methyl)amino]-3-hydroxypropanoic acid methyl ester
SpectraBase Compound ID 5MADaAAu2v3
InChI InChI=1S/C9H15NO5/c1-6(12)4-8(13)10(2)7(5-11)9(14)15-3/h7,11H,4-5H2,1-3H3/t7-/m0/s1
InChIKey INPTYWJRJUILLC-ZETCQYMHSA-N
Mol Weight 217.22 g/mol
Molecular Formula C9H15NO5
Exact Mass 217.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DskP4GLIg3
Name (2S)-2-[1,3-dioxobutyl(methyl)amino]-3-hydroxypropanoic acid methyl ester
Alternate Name(s) (2S)-2-[acetoacetyl(methyl)amino]-3-hydroxy-propionic acid methyl ester Methyl (2S)-2-[methyl(3-oxidanylidenebutanoyl)amino]-3-oxidanyl-propanoate Methyl (2S)-3-hydroxy-2-[methyl(3-oxobutanoyl)amino]propanoate
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Formula C9H15NO5
InChI InChI=1S/C9H15NO5/c1-6(12)4-8(13)10(2)7(5-11)9(14)15-3/h7,11H,4-5H2,1-3H3/t7-/m0/s1
InChIKey INPTYWJRJUILLC-ZETCQYMHSA-N
Molecular Weight 217.221 g/mol
SMILES OC[C@](N(C(CC(=O)C)=O)C)(C(=O)OC)[H]
SPLASH splash10-0uk9-3900000000-16c0c8bf934f671b8b33
Source of Spectrum U-1997-1820-6
Wiley ID 770053