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(E)-2-cyano-3-[2-(1-cyano-2-keto-2-methoxy-ethyl)-1-cyclopentenyl]-3-(methylthio)acrylic acid ethyl ester
SpectraBase Compound ID KgG986amo86
InChI InChI=1S/C16H18N2O4S/c1-4-22-16(20)13(9-18)14(23-3)11-7-5-6-10(11)12(8-17)15(19)21-2/h12H,4-7H2,1-3H3/b14-13+
InChIKey KXNHJYMFYVWXEA-BUHFOSPRSA-N
Mol Weight 334.39 g/mol
Molecular Formula C16H18N2O4S
Exact Mass 334.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTRvL7bc4cw
Name (E)-2-cyano-3-[2-(1-cyano-2-keto-2-methoxy-ethyl)-1-cyclopentenyl]-3-(methylthio)acrylic acid ethyl ester
Compound Number 8,N=1,ENDO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N2O4S
InChI InChI=1S/C16H18N2O4S/c1-4-22-16(20)13(9-18)14(23-3)11-7-5-6-10(11)12(8-17)15(19)21-2/h12H,4-7H2,1-3H3/b14-13+
InChIKey KXNHJYMFYVWXEA-BUHFOSPRSA-N
Literature Reference Author E.KLEINPETER,M.HEYDENREICH,J.WOLLER,G.WOLF,A.KOCH,G.KEMPTER, K.PIHLAJA
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1877(1998)
Literature Reference DOI 10.1039/a803732i
Molecular Weight 334.390 g/mol
Solvent CDCl3
Source File Reference UWRU10140