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3-Methyl-4-phenylsulfinyl-2-tosylpyrrole
SpectraBase Compound ID 2W98nhloNvL
InChI InChI=1S/C18H17NO3S2/c1-13-8-10-16(11-9-13)24(21,22)18-14(2)17(12-19-18)23(20)15-6-4-3-5-7-15/h3-12,19H,1-2H3
InChIKey GKNNFSNKMDIGAO-UHFFFAOYSA-N
Mol Weight 359.46 g/mol
Molecular Formula C18H17NO3S2
Exact Mass 359.064986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHg7YLz6CqY
Name 3-Methyl-4-phenylsulfinyl-2-tosylpyrrole
Alternate Name(s) 3-Methyl-2-[(4-methylphenyl)sulfonyl]-4-(phenylsulfinyl)-1H-pyrrole 4-Methylphenyl 3-methyl-4-(phenylsulfinyl)-1H-pyrrol-2-yl sulfone
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Formula C18H17NO3S2
InChI InChI=1S/C18H17NO3S2/c1-13-8-10-16(11-9-13)24(21,22)18-14(2)17(12-19-18)23(20)15-6-4-3-5-7-15/h3-12,19H,1-2H3
InChIKey GKNNFSNKMDIGAO-UHFFFAOYSA-N
Molecular Weight 359.458 g/mol
SMILES [nH]1cc(c(c1S(=O)(=O)c1ccc(C)cc1)C)S(=O)c1ccccc1
SPLASH splash10-000i-0819000000-9c61b0ff64174d1b31ab
Source of Spectrum AJ-67-1447-14
Wiley ID 772612