For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-AMINO-4,6-DICYANO-5-METHYL-2-(4-OXA-THIANIO)-PHENOLATE
SpectraBase Compound ID DS6oWSDCTQ7
InChI InChI=1S/C13H13N3O2S/c1-8-9(6-14)11(16)13(12(17)10(8)7-15)19-4-2-18-3-5-19/h2-5,16H2,1H3
InChIKey FJCSONYUFWTMAX-UHFFFAOYSA-N
Mol Weight 275.33 g/mol
Molecular Formula C13H13N3O2S
Exact Mass 275.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5WMknPPXGdd
Name 3-AMINO-4,6-DICYANO-5-METHYL-2-(4-OXA-THIANIO)-PHENOLATE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O2S
InChI InChI=1S/C13H13N3O2S/c1-8-9(6-14)11(16)13(12(17)10(8)7-15)19-4-2-18-3-5-19/h2-5,16H2,1H3
InChIKey FJCSONYUFWTMAX-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 275.325 g/mol
Solvent DMSO-D6
Source File Reference UWPB9