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3-Methyl-2,5-diphenylthiazolium p-toluenesulfonate

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3-Methyl-2,5-diphenylthiazolium p-toluenesulfonate
SpectraBase Compound ID G2GsJaWikcv
InChI InChI=1S/C16H14NS.C7H8O3S/c1-17-12-15(13-8-4-2-5-9-13)18-16(17)14-10-6-3-7-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey MNGSVOBZLWBFJR-UHFFFAOYSA-M
Mol Weight 423.54 g/mol
Molecular Formula C23H21NO3S2
Exact Mass 423.096286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0XxvEJSHAn
Name 3-Methyl-2,5-diphenylthiazolium p-toluenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 423.096285885 u
Formula C23H21NO3S2
InChI InChI=1S/C16H14NS.C7H8O3S/c1-17-12-15(13-8-4-2-5-9-13)18-16(17)14-10-6-3-7-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey MNGSVOBZLWBFJR-UHFFFAOYSA-M
Molecular Weight 423.545 g/mol
SMILES C=1C(=CC=C(C1)C)S(=O)(=O)[O-].C=1C(=CC=CC1)C1=C[N+](=C(S1)C1=CC=CC=C1)C