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5-Amino-4-iodo-2-methylphenol 4-methylbenzenesulfonate ester
SpectraBase Compound ID D9LMLcvo0lz
InChI InChI=1S/C14H14INO3S/c1-9-3-5-11(6-4-9)20(17,18)19-14-8-13(16)12(15)7-10(14)2/h3-8H,16H2,1-2H3
InChIKey NWNOCPBXYIXFQC-UHFFFAOYSA-N
Mol Weight 403.23 g/mol
Molecular Formula C14H14INO3S
Exact Mass 402.973909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ha9jF6mmI20
Name 5-Amino-4-iodo-2-methylphenol 4-methylbenzenesulfonate ester
Alternate Name(s) 5-Amino-4-iodo-2-methylphenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (5-amino-4-iodo-2-methylphenyl) ester (5-amino-4-iodo-2-methylphenyl) 4-methylbenzenesulfonate (5-amino-4-iodo-2-methyl-phenyl) 4-methylbenzenesulfonate (5-azanyl-4-iodanyl-2-methyl-phenyl) 4-methylbenzenesulfonate
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Formula C14H14INO3S
InChI InChI=1S/C14H14INO3S/c1-9-3-5-11(6-4-9)20(17,18)19-14-8-13(16)12(15)7-10(14)2/h3-8H,16H2,1-2H3
InChIKey NWNOCPBXYIXFQC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800602v
Molecular Weight 403.234 g/mol
SMILES Nc1c(cc(c(c1)OS(c1ccc(cc1)C)(=O)=O)C)I
SPLASH splash10-0a4i-9220000000-cd2d715dbaa1cba3dcc3
Source of Spectrum A1-10-1999/SMS3-9
Wiley ID 1759443