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2-(4-N-METHYLPYRIDINIUM)-5-(DICYANOMETHANIDO)-THIOPHENE
SpectraBase Compound ID E0tA6gozB8E
InChI InChI=1S/C13H10N3S/c1-16-6-4-10(5-7-16)12-2-3-13(17-12)11(8-14)9-15/h2-7,11H,1H3/q+1
InChIKey XQNSCNAMNPFOLZ-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H10N3S
Exact Mass 240.059544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4k5fwQL8NFm
Name 2-(4-N-METHYLPYRIDINIUM)-5-(DICYANOMETHANIDO)-THIOPHENE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10N3S
InChI InChI=1S/C13H10N3S/c1-16-6-4-10(5-7-16)12-2-3-13(17-12)11(8-14)9-15/h2-7,11H,1H3/q+1
InChIKey XQNSCNAMNPFOLZ-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 240.302 g/mol
Solvent DMSO-D6