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TRANS-3'-METHYLSULPHONYLALLYL-TRANS-CINNAMATE
SpectraBase Compound ID LFCowEgdj39
InChI InChI=1S/C13H14O4S/c1-18(15,16)11-5-10-17-13(14)9-8-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b9-8+,11-5+
InChIKey XKWYWPLJJOFUCZ-SXGHKVHISA-N
Mol Weight 266.31 g/mol
Molecular Formula C13H14O4S
Exact Mass 266.06128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PTuCtBoVpt
Name (TRANS)-3'-METHYLSULPHONYLALLYL-(TRANS)-CINNAMATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O4S
InChI InChI=1S/C13H14O4S/c1-18(15,16)11-5-10-17-13(14)9-8-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/b9-8+,11-5+
InChIKey XKWYWPLJJOFUCZ-SXGHKVHISA-N
Literature Reference Author C.A.CARBONEZI,M.N.LOPES,D.H.S.SILVA,A.R.ARAUJO,V.D.S.BOLZANI ,M.C.M.YOUNG
Literature Reference Citation QUIM.NOVA,27,196(2004)
Literature Reference DOI 10.1590/s0100-40422004000200005
Molecular Weight 266.312 g/mol
Solvent CDCl3
Source File Reference UWBT12260