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4-[5-(DICYANOMETHANIDO)-THIEN-2-YL]-PYRIDINE_SODIUM_SALT
SpectraBase Compound ID 1mBlYMRsabX
InChI InChI=1S/C12H7N3S.Na/c13-7-10(8-14)12-2-1-11(16-12)9-3-5-15-6-4-9;/h1-6,10H;/q;+1
InChIKey BLDGHAZNQPHAQJ-UHFFFAOYSA-N
Mol Weight 248.26 g/mol
Molecular Formula C12H7N3NaS
Exact Mass 248.025838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bhiuGDr9s0
Name 4-[5-(DICYANOMETHANIDO)-THIEN-2-YL]-PYRIDINE_SODIUM_SALT
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7N3NaS
InChI InChI=1S/C12H7N3S.Na/c13-7-10(8-14)12-2-1-11(16-12)9-3-5-15-6-4-9;/h1-6,10H;/q;+1
InChIKey BLDGHAZNQPHAQJ-UHFFFAOYSA-N
Literature Reference Author A.ABBOTTO,S.BRADAMANTE,A.FACCHETTI,G.A.PAGANI
Literature Reference Citation J.ORG.CHEM.,62,5755(1997)
Literature Reference DOI 10.1021/jo970059x
Molecular Weight 248.257 g/mol
Solvent DMSO-D6
Source File Reference UWMZ4377