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2-(isovalerylamino)-4-(methylthio)butyric acid methyl ester
SpectraBase Compound ID Lo90Lj8ezjK
InChI InChI=1S/C11H21NO3S/c1-8(2)7-10(13)12-9(5-6-16-4)11(14)15-3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKey MMJDXFLWZGLRLU-UHFFFAOYSA-N
Mol Weight 247.35 g/mol
Molecular Formula C11H21NO3S
Exact Mass 247.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJMrkucuS7p
Name 2-(isovalerylamino)-4-(methylthio)butyric acid methyl ester
Alternate Name(s) 2-[(3-methyl-1-oxobutyl)amino]-4-(methylthio)butanoic acid methyl ester d,l-Methionine, N-isovaleryl-, methyl ester Methyl 2-(3-methylbutanoylamino)-4-methylsulfanyl-butanoate
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Formula C11H21NO3S
InChI InChI=1S/C11H21NO3S/c1-8(2)7-10(13)12-9(5-6-16-4)11(14)15-3/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKey MMJDXFLWZGLRLU-UHFFFAOYSA-N
Molecular Weight 247.353 g/mol
SMILES N(C(CCSC)C(=O)OC)C(=O)CC(C)C
SPLASH splash10-0a4u-9200000000-f636cca46bba66432b0c
Source of Spectrum HE-1986-1699-0
Wiley ID 1249808