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4,6-Diamino-5-bromo-3-cyano-2-(methylthio)pyridine
SpectraBase Compound ID CAnWBRWSAgc
InChI InChI=1S/C7H7BrN4S/c1-13-7-3(2-9)5(10)4(8)6(11)12-7/h1H3,(H4,10,11,12)
InChIKey KBABRKWYTBEIJJ-UHFFFAOYSA-N
Mol Weight 259.12 g/mol
Molecular Formula C7H7BrN4S
Exact Mass 257.95748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1waXVZO1GNX
Name 4,6-Diamino-5-bromo-3-cyano-2-(methylthio)pyridine
Appearance White crystals
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Formula C7H7BrN4S
InChI InChI=1S/C7H7BrN4S/c1-13-7-3(2-9)5(10)4(8)6(11)12-7/h1H3,(H4,10,11,12)
InChIKey KBABRKWYTBEIJJ-UHFFFAOYSA-N
Instrument Name Micromass 7070 E or Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2649
Molecular Weight 259.125 g/mol
SMILES Nc1nc(c(c(c1Br)N)C#N)SC
SPLASH splash10-0cdi-9460000000-e4a44d475a99805f7955
Source of Spectrum Y-54-SM4-4
Wiley ID 1877971