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2-(2-Methylthiopyrimidin-4-ylthio)benzothiazole
SpectraBase Compound ID 49D7UBlhu7d
InChI InChI=1S/C12H9N3S3/c1-16-11-13-7-6-10(15-11)18-12-14-8-4-2-3-5-9(8)17-12/h2-7H,1H3
InChIKey KIKFGBYLZXXCRI-UHFFFAOYSA-N
Mol Weight 291.41 g/mol
Molecular Formula C12H9N3S3
Exact Mass 290.995861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1V8Z688Ypa2
Name 2-(2-Methylthiopyrimidin-4-ylthio)benzothiazole
Comments Computed using HOSE algorithm
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Exact Mass 290.995860824 u
Formula C12H9N3S3
InChI InChI=1S/C12H9N3S3/c1-16-11-13-7-6-10(15-11)18-12-14-8-4-2-3-5-9(8)17-12/h2-7H,1H3
InChIKey KIKFGBYLZXXCRI-UHFFFAOYSA-N
Molecular Weight 291.405 g/mol
SMILES C1(=Nc2ccccc2S1)Sc1nc(SC)ncc1