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5-CYANO-6-METHYL-3-PYRIDINIO-2-THIOXO-2H-THIOPYRAN-4-OLATE

View entire compound with spectra: 1 NMR

5-CYANO-6-METHYL-3-PYRIDINIO-2-THIOXO-2H-THIOPYRAN-4-OLATE
SpectraBase Compound ID BD01KfYvmad
InChI InChI=1S/C12H8N2OS2/c1-8-9(7-13)11(15)10(12(16)17-8)14-5-3-2-4-6-14/h2-6H,1H3
InChIKey HCWBYHZSSFMRQW-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C12H8N2OS2
Exact Mass 260.007805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvdtnRPvy0d
Name 5-CYANO-6-METHYL-3-PYRIDINIO-2-THIOXO-2H-THIOPYRAN-4-OLATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N2OS2
InChI InChI=1S/C12H8N2OS2/c1-8-9(7-13)11(15)10(12(16)17-8)14-5-3-2-4-6-14/h2-6H,1H3
InChIKey HCWBYHZSSFMRQW-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 260.328 g/mol
Solvent DMSO-D6
Source File Reference UWPB21