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ETHYL-[[3-(2-CYANOETHYL)-PHENYL]-THIO]-ACETATE
SpectraBase Compound ID FDaYOlFWV9E
InChI InChI=1S/C13H15NO2S/c1-2-16-13(15)10-17-12-7-3-5-11(9-12)6-4-8-14/h3,5,7,9H,2,4,6,10H2,1H3
InChIKey QZBQXSYEIVSCSG-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C13H15NO2S
Exact Mass 249.08235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xqIMarimgy
Name ETHYL-[[3-(2-CYANOETHYL)-PHENYL]-THIO]-ACETATE
Compound Number 20B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15NO2S
InChI InChI=1S/C13H15NO2S/c1-2-16-13(15)10-17-12-7-3-5-11(9-12)6-4-8-14/h3,5,7,9H,2,4,6,10H2,1H3
InChIKey QZBQXSYEIVSCSG-UHFFFAOYSA-N
Literature Reference Author K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI 10.1021/jo0056848
Molecular Weight 249.328 g/mol
Solvent CDCl3
Source File Reference UWVN26264