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

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METHYL-(1S,3S)-3-[2-(3-METHOXYPHENYL)-ETHEN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE;MIXTURE
SpectraBase Compound ID DqFJgQg85VX
InChI InChI=1S/2C16H20O3/c2*1-16(2)13(14(16)15(17)19-4)9-8-11-6-5-7-12(10-11)18-3/h2*5-10,13-14H,1-4H3/b9-8+;9-8-/t2*13-,14+/m00/s1
InChIKey LULPFNLNUQWGPP-WOTYMXPFSA-N
Mol Weight 520.67 g/mol
Molecular Formula C32H40O6
Exact Mass 520.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZPp2D3llVe
Name METHYL-(1S,3S)-3-[2-(3-METHOXYPHENYL)-ETHEN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE;MIXTURE
Compound Number (Z)-#9A;(E)-#9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H40O6
InChI InChI=1S/2C16H20O3/c2*1-16(2)13(14(16)15(17)19-4)9-8-11-6-5-7-12(10-11)18-3/h2*5-10,13-14H,1-4H3/b9-8+;9-8-/t2*13-,14+/m00/s1
InChIKey LULPFNLNUQWGPP-WOTYMXPFSA-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 520.666 g/mol
Sample ID 853
Solvent CDCl3