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cis-2-(2,2-Dibromo-vinyl)-3,3-dimethyl-cyclopropanoic acid, (2-benzyl-cyclopentyl)-ethyl ester
SpectraBase Compound ID LBOILHyvEdM
InChI InChI=1S/C22H28Br2O2/c1-22(2)18(14-19(23)24)20(22)21(25)26-12-11-16-9-6-10-17(16)13-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3
InChIKey JKPDXQGAPVPIBE-UHFFFAOYSA-N
Mol Weight 484.27 g/mol
Molecular Formula C22H28Br2O2
Exact Mass 482.045606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G58q7LKluOC
Name cis-2-(2,2-Dibromo-vinyl)-3,3-dimethyl-cyclopropanoic acid, (2-benzyl-cyclopentyl)-ethyl ester
Comments from mixture with trans-isomer
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Formula C22H28Br2O2
InChI InChI=1S/C22H28Br2O2/c1-22(2)18(14-19(23)24)20(22)21(25)26-12-11-16-9-6-10-17(16)13-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3
InChIKey JKPDXQGAPVPIBE-UHFFFAOYSA-N
Instrument Name Jeol GX-400
Literature Reference N.F. Janes, B.P. Khambay, Magn. Res. Chem. 27, 197 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3