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5-Amino-2-methylphenol 4-metyl-benzenesulfonate ester
SpectraBase Compound ID 7ldqfUw0qdR
InChI InChI=1S/C14H15NO3S/c1-10-3-7-13(8-4-10)19(16,17)18-14-9-12(15)6-5-11(14)2/h3-9H,15H2,1-2H3
InChIKey RFXWYEQLTGUECS-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C14H15NO3S
Exact Mass 277.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KMura7NQlS
Name 5-Amino-2-methylphenol 4-metyl-benzenesulfonate ester
Alternate Name(s) 5-Amino-2-methylphenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (5-amino-2-methylphenyl) ester (5-amino-2-methylphenyl) 4-methylbenzenesulfonate (5-amino-2-methyl-phenyl) 4-methylbenzenesulfonate (5-azanyl-2-methyl-phenyl) 4-methylbenzenesulfonate
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Formula C14H15NO3S
InChI InChI=1S/C14H15NO3S/c1-10-3-7-13(8-4-10)19(16,17)18-14-9-12(15)6-5-11(14)2/h3-9H,15H2,1-2H3
InChIKey RFXWYEQLTGUECS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800602v
Molecular Weight 277.338 g/mol
SMILES Nc1ccc(c(c1)OS(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-00dr-0920000000-46218a01b03395e8d207
Source of Spectrum A1-10-1999/SMS3-arb1
Wiley ID 1759444