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2-((5-Bromobenzo[b]thiophen-2-yl)thio)pyridine
SpectraBase Compound ID 3alxMOnObQh
InChI InChI=1S/C13H8BrNS2/c14-10-4-5-11-9(7-10)8-13(16-11)17-12-3-1-2-6-15-12/h1-8H
InChIKey QGEWPLLAYFIWEH-UHFFFAOYSA-N
Mol Weight 322.24 g/mol
Molecular Formula C13H8BrNS2
Exact Mass 320.928155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZHFkKgLppO
Name 2-((5-Bromobenzo[b]thiophen-2-yl)thio)pyridine
Appearance Yellow oil
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Formula C13H8BrNS2
InChI InChI=1S/C13H8BrNS2/c14-10-4-5-11-9(7-10)8-13(16-11)17-12-3-1-2-6-15-12/h1-8H
InChIKey QGEWPLLAYFIWEH-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890-5793N or Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202003392
Molecular Weight 322.238 g/mol
Reported Formula C13H8BrNS2
SMILES c1(cc2c(cc1)sc(c2)Sc1ccccn1)Br
SPLASH splash10-00di-0119000000-9e7ee98105681a9c0e3c
Source of Spectrum ACI-59-SM20-4di
Wiley ID 1858139