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3-{[(2-benzothiazolyl)methylamino]methyl}-1-methylpyridinium iodide

View entire compound with spectra: 2 NMR, and 1 FTIR

3-{[(2-benzothiazolyl)methylamino]methyl}-1-methylpyridinium iodide
SpectraBase Compound ID Kh3jHwImpfS
InChI InChI=1S/C15H16N3S.HI/c1-17-9-5-6-12(10-17)11-18(2)15-16-13-7-3-4-8-14(13)19-15;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey WSFDTIXHIOIEOX-UHFFFAOYSA-M
Mol Weight 397.28 g/mol
Molecular Formula C15H16IN3S
Exact Mass 397.010964 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CauIcB2LDBK
Name 3-{[(2-BENZOTHIAZOLYL)METHYLAMINO]METHYL}-1-METHYLPYRIDINIUM IODIDE
Source of Sample O. Hankovszky, University Medical School, Pecs, Hungary
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16IN3S
InChI InChI=1S/C15H16N3S.HI/c1-17-9-5-6-12(10-17)11-18(2)15-16-13-7-3-4-8-14(13)19-15;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey WSFDTIXHIOIEOX-UHFFFAOYSA-M
Melting Point 147-148C
Molecular Weight 397.28
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRIDINIUM IODIDE, 3-///2-BENZOTHIAZOLYL/METHYLAMINO/METHYL/-1- METHYL-,