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a-cyano-5-nitro-2-thiopheneacrylonitrile
SpectraBase Compound ID KKOkYNu4f9R
InChI InChI=1S/C8H3N3O2S/c9-4-6(5-10)3-7-1-2-8(14-7)11(12)13/h1-3H
InChIKey WXXTURWZZJSFKU-UHFFFAOYSA-N
Mol Weight 205.19 g/mol
Molecular Formula C8H3N3O2S
Exact Mass 204.994598 g/mol
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number 19 E
Technique KBr WAFER
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
  • WXXTURWZZJSFKU-UHFFFAOYSA-N
  • 5-NITRO-2-THENYLIDENEMALONONITRILE
  • 2-THIOPHENEACRYLONITRILE, A-CYANO- 5-NITRO-,
  • MALONONITRILE, /5-NITRO-2-THENYL- IDENE/-,
Title Journal or Book Year
Dual Substituent Parameter Treatment of 13C Substituent Chemical Shifts in 5-Substitued 2-Thenylidenemalononitriles and Molecular Orbital Theoretical Analysis at the CNDO/2 Level HETEROCYCLES 1986

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