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ISOBUTYL-2-CYANO-2-(1,2,3,4-TETRAHYDRO-4-OXOTHIENO-[3,2-D]-PYRIDIN-2-YLIDENE)-ACETATE
SpectraBase Compound ID FGGqPne28qe
InChI InChI=1S/C13H13N3O3S/c1-7(2)6-19-13(18)8(5-14)11-15-9-3-4-20-10(9)12(17)16-11/h3-4,7,15H,6H2,1-2H3,(H,16,17)/b11-8-
InChIKey KCXDIBNBJAWJBA-FLIBITNWSA-N
Mol Weight 291.32 g/mol
Molecular Formula C13H13N3O3S
Exact Mass 291.067762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmhG5xJrWWi
Name ISOBUTYL-2-CYANO-2-(1,2,3,4-TETRAHYDRO-4-OXOTHIENO-[3,2-D]-PYRIDIN-2-YLIDENE)-ACETATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O3S
InChI InChI=1S/C13H13N3O3S/c1-7(2)6-19-13(18)8(5-14)11-15-9-3-4-20-10(9)12(17)16-11/h3-4,7,15H,6H2,1-2H3,(H,16,17)/b11-8-
InChIKey KCXDIBNBJAWJBA-FLIBITNWSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation HELV.CHIM.ACTA,74,579(1991)
Literature Reference DOI 10.1002/hlca.19910740315
Molecular Weight 291.325 g/mol
Solvent DMSO-D6
Source File Reference UWVP5631