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3-[(2-AMINOTHIAZOL-4-ETHYNYL]-5-FLUOROBENZONITRILE

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3-[(2-AMINOTHIAZOL-4-ETHYNYL]-5-FLUOROBENZONITRILE
SpectraBase Compound ID 6bc2EFg8UMi
InChI InChI=1S/C12H6FN3S/c13-10-4-8(3-9(5-10)6-14)1-2-11-7-17-12(15)16-11/h3-5,7H,(H2,15,16)
InChIKey XVBCHFJLODWFML-UHFFFAOYSA-N
Mol Weight 243.26 g/mol
Molecular Formula C12H6FN3S
Exact Mass 243.026647 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CzTakv7j54
Name 3-[(2-AMINOTHIAZOL-4-ETHYNYL]-5-FLUOROBENZONITRILE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6FN3S
InChI InChI=1S/C12H6FN3S/c13-10-4-8(3-9(5-10)6-14)1-2-11-7-17-12(15)16-11/h3-5,7H,(H2,15,16)
InChIKey XVBCHFJLODWFML-UHFFFAOYSA-N
Literature Reference Author F.G.SIMEON,M.T.WENDAHL,V.W.PIKE
Literature Reference Citation J.MED.CHEM.,54,901(2011)
Literature Reference DOI 10.1021/jm101430m
Solvent CDCl3
Source File Reference UWMZ34506