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TRANS-ETHYL-[[4-(2-CYANOETHENYL)-PHENYL]-THIO]-ACETATE
SpectraBase Compound ID EaCt7kJPnXP
InChI InChI=1S/C13H13NO2S/c1-2-16-13(15)10-17-12-7-5-11(6-8-12)4-3-9-14/h3-8H,2,10H2,1H3/b4-3+
InChIKey OFBSGCDKUSYNMZ-ONEGZZNKSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZYbuJSvhQR
Name TRANS-ETHYL-[[4-(2-CYANOETHENYL)-PHENYL]-THIO]-ACETATE
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-2-16-13(15)10-17-12-7-5-11(6-8-12)4-3-9-14/h3-8H,2,10H2,1H3/b4-3+
InChIKey OFBSGCDKUSYNMZ-ONEGZZNKSA-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 247.312 g/mol
Solvent CDCl3
Source File Reference UWVN26259