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2-(isovalerylamino)succinic acid dimethyl ester
SpectraBase Compound ID BZw7EMkGnvt
InChI InChI=1S/C11H19NO5/c1-7(2)5-9(13)12-8(11(15)17-4)6-10(14)16-3/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKey JAHKHNJPURNLJS-UHFFFAOYSA-N
Mol Weight 245.27 g/mol
Molecular Formula C11H19NO5
Exact Mass 245.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DySXJlw0S9c
Name 2-(isovalerylamino)succinic acid dimethyl ester
Alternate Name(s) 2-[(3-methyl-1-oxobutyl)amino]butanedioic acid dimethyl ester Dimethyl 2-(3-methylbutanoylamino)butanedioate Dimethyl 2-[(3-methylbutanoyl)amino]succinate l-Aspartic acid, N-isovaleryl-, dimethyl ester
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Formula C11H19NO5
InChI InChI=1S/C11H19NO5/c1-7(2)5-9(13)12-8(11(15)17-4)6-10(14)16-3/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKey JAHKHNJPURNLJS-UHFFFAOYSA-N
Molecular Weight 245.275 g/mol
SMILES N(C(CC(OC)=O)C(=O)OC)C(=O)CC(C)C
SPLASH splash10-0k96-9400000000-c009566d11aff4528ec1
Source of Spectrum HE-1986-1698-0
Wiley ID 1247823