For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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
Parent InChIKey QAQATXZBVDPMEI-UHFFFAOYSA-M
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AT-42-5499-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KC-57-8945-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3CN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 3-(Benzylpyridinium-3-yl)carbonyl-1,3-thiazolidin-2-thione bromide salt
Title Journal or Book Year
Cation−π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus Journal of the American Chemical Society 2004

This compound is available in the following databases:

Wiley Registry of Mass Spectral Data 2023

Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.