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2-(BENZOTHIAZOL-2-YLTHIO)-ACETONITRILE
SpectraBase Compound ID 5aNzLGfVs90
InChI InChI=1S/C9H6N2S2/c10-5-6-12-9-11-7-3-1-2-4-8(7)13-9/h1-4H,6H2
InChIKey GWSJKSFGUSSSKQ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C9H6N2S2
Exact Mass 205.997241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mx7pCTHeHE
Name 2-(BENZOTHIAZOL-2-YLTHIO)-ACETONITRILE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6N2S2
InChI InChI=1S/C9H6N2S2/c10-5-6-12-9-11-7-3-1-2-4-8(7)13-9/h1-4H,6H2
InChIKey GWSJKSFGUSSSKQ-UHFFFAOYSA-N
Literature Reference Author F.AL-OMRAN,R.M.MOHAREB,A.A.EL-KHAIR
Literature Reference Citation MOLECULES,16,6129(2011)
Literature Reference DOI 10.3390/molecules16076129
Molecular Weight 206.280 g/mol
Sample ID 470
Solvent DMSO-D6