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METHYL-(1S,3S)-3-[2-(4-ETHOXYPHENYL)-ETHEN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE;MIXTURE

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METHYL-(1S,3S)-3-[2-(4-ETHOXYPHENYL)-ETHEN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE;MIXTURE
SpectraBase Compound ID IIjE3KdeOZ1
InChI InChI=1S/2C17H22O3/c2*1-5-20-13-9-6-12(7-10-13)8-11-14-15(16(18)19-4)17(14,2)3/h2*6-11,14-15H,5H2,1-4H3/b11-8+;11-8-/t2*14-,15+/m00/s1
InChIKey USKJYBVUPNHQGW-BWJPWCSISA-N
Mol Weight 548.72 g/mol
Molecular Formula C34H44O6
Exact Mass 548.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pIZ7ClOFeV
Name METHYL-(1S,3S)-3-[2-(4-ETHOXYPHENYL)-ETHEN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE;MIXTURE
Compound Number (Z)-#12A;(E)-#12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44O6
InChI InChI=1S/2C17H22O3/c2*1-5-20-13-9-6-12(7-10-13)8-11-14-15(16(18)19-4)17(14,2)3/h2*6-11,14-15H,5H2,1-4H3/b11-8+;11-8-/t2*14-,15+/m00/s1
InChIKey USKJYBVUPNHQGW-BWJPWCSISA-N
Literature Reference Author E.S.D.ALVARENGA,V.M.T.CARNEIRO.G.C.RESENDE,M.C.PICANCO,E.D.S .FARIAS,M.C.LOPES
Literature Reference Citation MOLECULES,17,13989(2012)
Literature Reference DOI 10.3390/molecules171213989
Molecular Weight 548.720 g/mol
Sample ID 856
Solvent CDCl3