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1-(2-(4-Methyl-2-(4-methylphenylsulfonamido)thiazol-5-yl)-2-oxoethyl)pyridin-1-ium bromide
SpectraBase Compound ID HXtqe0vanfO
InChI InChI=1S/C18H17N3O3S2.BrH/c1-13-6-8-15(9-7-13)26(23,24)20-18-19-14(2)17(25-18)16(22)12-21-10-4-3-5-11-21;/h3-11H,12H2,1-2H3;1H
InChIKey HARHSRZASLUUTH-UHFFFAOYSA-N
Mol Weight 468.384 g/mol
Molecular Formula C18H18BrN3O3S2
Exact Mass 466.997297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WMn5gn4p7a
Name 1-(2-(4-Methyl-2-(4-methylphenylsulfonamido)thiazol-5-yl)-2-oxoethyl)pyridin-1-ium bromide
Appearance White crystals
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Formula C18H18BrN3O3S2
InChI InChI=1S/C18H17N3O3S2.BrH/c1-13-6-8-15(9-7-13)26(23,24)20-18-19-14(2)17(25-18)16(22)12-21-10-4-3-5-11-21;/h3-11H,12H2,1-2H3;1H
InChIKey HARHSRZASLUUTH-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 468.384 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1sc(c(n1)C)C(C[n+]1ccccc1)=O.[Br-]
SPLASH splash10-00n0-9211600000-a2018d3ba490ade532ff
Source of Spectrum Y-57-2869-5
Wiley ID 1860260