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3-((2-CHLOROTHIAZOL)-4-YL)-ETHYNYL)-5-FLUOROBENZONITRILE
SpectraBase Compound ID 9NBbcuVFANi
InChI InChI=1S/C12H4ClFN2S/c13-12-16-11(7-17-12)2-1-8-3-9(6-15)5-10(14)4-8/h3-5,7H
InChIKey PPAQOEIJUZVTEC-UHFFFAOYSA-N
Mol Weight 262.69 g/mol
Molecular Formula C12H4ClFN2S
Exact Mass 261.976775 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bmh4G1Z9Qa
Name 3-((2-CHLOROTHIAZOL)-4-YL)-ETHYNYL)-5-FLUOROBENZONITRILE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H4ClFN2S
InChI InChI=1S/C12H4ClFN2S/c13-12-16-11(7-17-12)2-1-8-3-9(6-15)5-10(14)4-8/h3-5,7H
InChIKey PPAQOEIJUZVTEC-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 UWMZ34507