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2,2,2-TRIFLUORO-N-[5-(PHENYLTHIO)-PENT-4-ENYL]-ACETAMIDE;(E/Z)-MIXTURE
SpectraBase Compound ID FcZBhq2iimR
InChI InChI=1S/2C13H14F3NOS/c2*14-13(15,16)12(18)17-9-5-2-6-10-19-11-7-3-1-4-8-11/h2*1,3-4,6-8,10H,2,5,9H2,(H,17,18)/b10-6+;10-6-
InChIKey JHJYUQZOUZFTCN-CJUPLKJXSA-N
Mol Weight 578.63 g/mol
Molecular Formula C26H28F6N2O2S2
Exact Mass 578.149639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGUu9pUcWyy
Name 2,2,2-TRIFLUORO-N-[5-(PHENYLTHIO)-PENT-4-ENYL]-ACETAMIDE;(E/Z)-MIXTURE
Compound Number 51
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28F6N2O2S2
InChI InChI=1S/2C13H14F3NOS/c2*14-13(15,16)12(18)17-9-5-2-6-10-19-11-7-3-1-4-8-11/h2*1,3-4,6-8,10H,2,5,9H2,(H,17,18)/b10-6+;10-6-
InChIKey JHJYUQZOUZFTCN-CJUPLKJXSA-N
Literature Reference Author C.QUINET,L.SAMPOUX,I.E.MARKO
Literature Reference Citation EUR.J.ORG.CHEM.,2009,1806(2009)
Literature Reference DOI 10.1002/ejoc.200900009
Molecular Weight 578.631 g/mol
Solvent CDCl3
Source File Reference UWIR20407