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METHYL_3-N-(TERT.-BUTYL)-2-(2,5-DICHLORO-3-THENOYL)-ACRYLATE;MIXTURE_OF_Z-_AND_E-ISOMER
SpectraBase Compound ID GpPKdg1xMhN
InChI InChI=1S/2C13H15Cl2NO3S/c2*1-13(2,3)16-6-8(12(18)19-4)10(17)7-5-9(14)20-11(7)15/h2*5-6,16H,1-4H3/b8-6+;8-6-
InChIKey VQDRTUXERCXNEC-CENQFKCESA-N
Mol Weight 672.47 g/mol
Molecular Formula C26H30Cl4N2O6S2
Exact Mass 670.02994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQ5RSE3qXi2
Name METHYL_3-N-(TERT.-BUTYL)-2-(2,5-DICHLORO-3-THENOYL)-ACRYLATE;MIXTURE_OF_Z-_AND_E-ISOMER
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30Cl4N2O6S2
InChI InChI=1S/2C13H15Cl2NO3S/c2*1-13(2,3)16-6-8(12(18)19-4)10(17)7-5-9(14)20-11(7)15/h2*5-6,16H,1-4H3/b8-6+;8-6-
InChIKey VQDRTUXERCXNEC-CENQFKCESA-N
Literature Reference Author M.M.EL-ABADELAH,S.S.SABRI,H.A.AL-ASHQAR
Literature Reference Citation HETEROCYCLES,45,255(1997)
Literature Reference DOI 10.3987/COM-96-7613
Molecular Weight 672.466 g/mol
Solvent CDCl3
Source File Reference UWMZ2057