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2-[[(2S)-2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]propanedioic acid dimethyl ester
SpectraBase Compound ID HpTBLi23FIK
InChI InChI=1S/C18H20N2O7/c1-9(2)13(14(21)19-12(17(24)26-3)18(25)27-4)20-15(22)10-7-5-6-8-11(10)16(20)23/h5-9,12-13H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKey UMZGJXGQBPMRCW-ZDUSSCGKSA-N
Mol Weight 376.37 g/mol
Molecular Formula C18H20N2O7
Exact Mass 376.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1oF6qNfWIM
Name 2-[[(2S)-2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]propanedioic acid dimethyl ester
Alternate Name(s) 2-[[(2S)-3-methyl-2-phthalimido-butanoyl]amino]malonic acid dimethyl ester Dimethyl 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]propanedioate Dimethyl 2-[[(2S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoyl]amino]propanedioate Dimethyl 2-[[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoyl]amino]propanedioate
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Formula C18H20N2O7
InChI InChI=1S/C18H20N2O7/c1-9(2)13(14(21)19-12(17(24)26-3)18(25)27-4)20-15(22)10-7-5-6-8-11(10)16(20)23/h5-9,12-13H,1-4H3,(H,19,21)/t13-/m0/s1
InChIKey UMZGJXGQBPMRCW-ZDUSSCGKSA-N
Molecular Weight 376.365 g/mol
SMILES N(C(C(=O)OC)C(=O)OC)C([C@@](N1C(c2ccccc2C1=O)=O)(C(C)C)[H])=O
SPLASH splash10-0ue9-0793000000-ef6be117ebf4f49690ce
Source of Spectrum KC-0-594-12
Wiley ID 824487