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

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METHYL-(1S,3S)-3-[2-(PENTAFLUOROPHENYL)-ETHEN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE;MIXTURE
SpectraBase Compound ID 6cYL3lumqgw
InChI InChI=1S/2C15H13F5O2/c2*1-15(2)7(8(15)14(21)22-3)5-4-6-9(16)11(18)13(20)12(19)10(6)17/h2*4-5,7-8H,1-3H3/b5-4+;5-4-/t2*7-,8+/m00/s1
InChIKey GEWISUKDMPJHDS-KMGMXFPISA-N
Mol Weight 640.52 g/mol
Molecular Formula C30H26F10O4
Exact Mass 640.167141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjzehxIchYL
Name METHYL-(1S,3S)-3-[2-(PENTAFLUOROPHENYL)-ETHEN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE;MIXTURE
Compound Number (Z)-#1 1A;(E)-#11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26F10O4
InChI InChI=1S/2C15H13F5O2/c2*1-15(2)7(8(15)14(21)22-3)5-4-6-9(16)11(18)13(20)12(19)10(6)17/h2*4-5,7-8H,1-3H3/b5-4+;5-4-/t2*7-,8+/m00/s1
InChIKey GEWISUKDMPJHDS-KMGMXFPISA-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 640.518 g/mol
Sample ID 855
Solvent CDCl3