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Butanoic acid, 4-methylthio-2-(4-nitrophenylsulfonylamino)-, methyl ester
SpectraBase Compound ID 1T2jaJNZ7Ki
InChI InChI=1S/C12H16N2O6S2/c1-20-12(15)11(7-8-21-2)13-22(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,11,13H,7-8H2,1-2H3
InChIKey SYQKXKJIXCWEDB-UHFFFAOYSA-N
Mol Weight 348.39 g/mol
Molecular Formula C12H16N2O6S2
Exact Mass 348.044979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmayMpjAK4v
Name Butanoic acid, 4-methylthio-2-(4-nitrophenylsulfonylamino)-, methyl ester
Alternate Name(s) 4-(methylthio)-2-(nosylamino)butyric acid methyl ester 4-(methylthio)-2-[(4-nitrophenyl)sulfonylamino]butanoic acid methyl ester Methyl 4-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]butanoate
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Formula C12H16N2O6S2
InChI InChI=1S/C12H16N2O6S2/c1-20-12(15)11(7-8-21-2)13-22(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,11,13H,7-8H2,1-2H3
InChIKey SYQKXKJIXCWEDB-UHFFFAOYSA-N
Molecular Weight 348.388 g/mol
SMILES N(S(c1ccc(N(=O)=O)cc1)(=O)=O)C(C(=O)OC)CCSC
SPLASH splash10-03di-9600000000-1c43f6650880ceeab5cb
Source of Spectrum AD-0-2532-0
Wiley ID 1425959