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N-Methyl-N-4-methylphenylsulfonyl-L-alanine methyl ester
SpectraBase Compound ID JbOxjf8D4Sf
InChI InChI=1S/C12H17NO4S/c1-9-5-7-11(8-6-9)18(15,16)13(3)10(2)12(14)17-4/h5-8,10H,1-4H3/t10-/m0/s1
InChIKey CFCXBLBYKUZSIK-JTQLQIEISA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ecs2HvJbdsA
Name N-Methyl-N-4-methylphenylsulfonyl-L-alanine methyl ester
Alternate Name(s) (2S)-2-[methyl-(4-methylphenyl)sulfonylamino]propanoic acid methyl ester Methyl (2S)-2-[methyl-(4-methylphenyl)sulfonylamino]propanoate Methyl (2S)-2-[methyl(p-tolylsulfonyl)amino]propanoate Methyl (2S)-2-[methyl-(4-methylphenyl)sulfonyl-amino]propanoate
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Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-9-5-7-11(8-6-9)18(15,16)13(3)10(2)12(14)17-4/h5-8,10H,1-4H3/t10-/m0/s1
InChIKey CFCXBLBYKUZSIK-JTQLQIEISA-N
Molecular Weight 271.331 g/mol
SMILES [C@](N(S(c1ccc(cc1)C)(=O)=O)C)(C(=O)OC)(C)[H]
SPLASH splash10-08fu-7590000000-557ef732bd7432a324ee
Source of Spectrum F-67-9712-2g
Wiley ID 1707359