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5-CYANO-6-PHENYL-3-PYRIDINIO-2-THIOXO-1,2-DIHYDRO-PYRIDIN-4-OLATE
SpectraBase Compound ID LlQZpN417uw
InChI InChI=1S/C17H11N3OS/c18-11-13-14(12-7-3-1-4-8-12)19-17(22)15(16(13)21)20-9-5-2-6-10-20/h1-10H,(H-,19,21,22)
InChIKey KEHGCIGERLRMGH-UHFFFAOYSA-N
Mol Weight 305.36 g/mol
Molecular Formula C17H11N3OS
Exact Mass 305.062283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9BVXi1pExE
Name 5-CYANO-6-PHENYL-3-PYRIDINIO-2-THIOXO-1,2-DIHYDRO-PYRIDIN-4-OLATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11N3OS
InChI InChI=1S/C17H11N3OS/c18-11-13-14(12-7-3-1-4-8-12)19-17(22)15(16(13)21)20-9-5-2-6-10-20/h1-10H,(H-,19,21,22)
InChIKey KEHGCIGERLRMGH-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,M.REHWALD,K.ECKERT,H.SCHAEFER,M.GRUNER
Literature Reference Citation MH.CHEM.,126,711(1995)
Literature Reference DOI 10.1007/BF00807162
Molecular Weight 305.354 g/mol
Solvent DMSO-D6
Source File Reference UWPB20