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2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-[[(methylthio)carbonyl]amino]-, ethyl ester, (Z)-
SpectraBase Compound ID 6WtwhJsU9Ro
InChI InChI=1S/C14H15NO5S/c1-3-18-13(16)10(15-14(17)21-2)6-9-4-5-11-12(7-9)20-8-19-11/h4-7H,3,8H2,1-2H3,(H,15,17)/b10-6-
InChIKey DFQUQWRLSQCZCU-POHAHGRESA-N
Mol Weight 309.34 g/mol
Molecular Formula C14H15NO5S
Exact Mass 309.067094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95sca4hL8dB
Name 3-(3,4-Methylenedioxy-phenyl)-2-(methylthiocarbonylamino)-acrylic acid, ethyl ester
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Formula C14H15NO5S
InChI InChI=1S/C14H15NO5S/c1-3-18-13(16)10(15-14(17)21-2)6-9-4-5-11-12(7-9)20-8-19-11/h4-7H,3,8H2,1-2H3,(H,15,17)/b10-6-
InChIKey DFQUQWRLSQCZCU-POHAHGRESA-N
Instrument Name Varian FT-80
Literature Reference C. Alvarez-Ibarra, M.M. Lopez-Ranz, J. Chem. Soc. Perkin I 1577 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3