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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OOow5BaNXv
Name 3-(Benzylpyridinium-3-yl)carbonyl-1,3-thiazolidin-2-thione bromide salt
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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
Molecular Weight 395.333 g/mol
SMILES [Br-].C(N1C(SCC1)=S)(c1c[n+](Cc2ccccc2)ccc1)=O
SPLASH splash10-05bf-9730000000-1d3508b76a6b9577a4e5
Source of Spectrum AT-42-5499-1
Synonyms 1-(Benzylpyridinium-3-yl)carbonyl-1,3-thiazolidin-2-thione bromide salt 1-Benzyl-3-[(2-thioxo-1,3-thiazolidin-3-yl)carbonyl]pyridinium bromide
Wiley ID 855234