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4-Iodo-2-(toluene-4-sulfonylamino)butyric acid, methyl ester
SpectraBase Compound ID DDzfRpsMMB5
InChI InChI=1S/C12H16INO4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(7-8-13)12(15)18-2/h3-6,11,14H,7-8H2,1-2H3
InChIKey KUOISLGQNLELPA-UHFFFAOYSA-N
Mol Weight 397.23 g/mol
Molecular Formula C12H16INO4S
Exact Mass 396.984474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOtGdE8F7wZ
Name 4-Iodo-2-(toluene-4-sulfonylamino)butyric acid, methyl ester
Alternate Name(s) 4-iodo-2-(tosylamino)butyric acid methyl ester 4-iodo-2-[(4-methylphenyl)sulfonylamino]butanoic acid methyl ester Methyl 4-iodanyl-2-[(4-methylphenyl)sulfonylamino]butanoate Methyl 4-iodo-2-(p-tolylsulfonylamino)butanoate Methyl 4-iodo-2-[(4-methylphenyl)sulfonylamino]butanoate
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Formula C12H16INO4S
InChI InChI=1S/C12H16INO4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(7-8-13)12(15)18-2/h3-6,11,14H,7-8H2,1-2H3
InChIKey KUOISLGQNLELPA-UHFFFAOYSA-N
Molecular Weight 397.227 g/mol
SMILES N(S(c1ccc(C)cc1)(=O)=O)C(C(=O)OC)CCI
SPLASH splash10-052o-9403000000-b0f25642222fcc802348
Wiley ID 1486632