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1-Benzyl-3-(2-thioxo-1,3-thiazolidine-3-carbonyl)pyridinium bromide
SpectraBase Compound ID 5MKSW2n5zNa
InChI InChI=1S/C16H15N2OS2.BrH/c19-15(18-9-10-21-16(18)20)14-7-4-8-17(12-14)11-13-5-2-1-3-6-13;/h1-8,12H,9-11H2;1H/q+1;/p-1
InChIKey ROXNLUULFGPJSK-UHFFFAOYSA-M
Mol Weight 395.33 g/mol
Molecular Formula C16H15BrN2OS2
Exact Mass 393.980918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1W8N975OUgg
Name 1-BENZYL-3-(2-THIOXO-1,3-THIAZOLIDINE-3-CARBONYL)-PYRIDINIUM-BROMIDE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15BrN2OS2
InChI InChI=1S/C16H15N2OS2.BrH/c19-15(18-9-10-21-16(18)20)14-7-4-8-17(12-14)11-13-5-2-1-3-6-13;/h1-8,12H,9-11H2;1H/q+1;/p-1
InChIKey ROXNLUULFGPJSK-UHFFFAOYSA-M
Literature Reference Author S.YAMADA,T.MISONO,S.TSUZUKI
Literature Reference Citation J.AM.CHEM.SOC.,126,9862(2004)
Literature Reference DOI 10.1021/ja0490119
Molecular Weight 395.332 g/mol
Solvent DMSO-D6
Source File Reference UWLU34946