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2-[3-(2-thienyl)prop-2-enylidene]malonic acid dimethyl ester
SpectraBase Compound ID GPU95cKuSZ9
InChI InChI=1S/C12H12O4S/c1-15-11(13)10(12(14)16-2)7-3-5-9-6-4-8-17-9/h3-8H,1-2H3/b5-3+
InChIKey KUOCOOIPQDJGFH-HWKANZROSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H12O4S
Exact Mass 252.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuKcbWdpjrL
Name 2-[3-(2-thienyl)prop-2-enylidene]malonic acid dimethyl ester
Compound Number VII-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O4S
InChI InChI=1S/C12H12O4S/c1-15-11(13)10(12(14)16-2)7-3-5-9-6-4-8-17-9/h3-8H,1-2H3/b5-3+
InChIKey KUOCOOIPQDJGFH-HWKANZROSA-N
Literature Reference Author Z.A.KRASNAYA,S.A.BUROVA,V.S.BOGDANOV,Y.V.SMIRNOVA
Literature Reference Citation CHEM.HET.COMP.,33,410(1997)
Literature Reference DOI 10.1007/bf02321384
Molecular Weight 252.285 g/mol
Solvent CDCl3
Source File Reference UWMZ15104