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3-AMINO-4,6-DICYANO-5-METHYL-2-(TETRAHYDROTHIOPHENIO)-PHENOLATE
SpectraBase Compound ID G6hYNT9jz0F
InChI InChI=1S/C13H13N3OS/c1-8-9(6-14)11(16)13(12(17)10(8)7-15)18-4-2-3-5-18/h2-5,16H2,1H3
InChIKey BJQYVFJXPDEPOD-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C13H13N3OS
Exact Mass 259.077933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKWivTybpCO
Name 3-AMINO-4,6-DICYANO-5-METHYL-2-(TETRAHYDROTHIOPHENIO)-PHENOLATE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3OS
InChI InChI=1S/C13H13N3OS/c1-8-9(6-14)11(16)13(12(17)10(8)7-15)18-4-2-3-5-18/h2-5,16H2,1H3
InChIKey BJQYVFJXPDEPOD-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 259.326 g/mol
Solvent DMSO-D6
Source File Reference UWPB7