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cis-2-(2,2-Dibromo-vinyl)-3,3-dimethyl-cyclopropanoic acid, 3-phenethyl-cyclopentyl ester
SpectraBase Compound ID DQqqF1vl9KT
InChI InChI=1S/C21H26Br2O2/c1-21(2)17(13-18(22)23)19(21)20(24)25-16-11-10-15(12-16)9-8-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3
InChIKey ABXTZXNQLCLTMW-UHFFFAOYSA-N
Mol Weight 470.25 g/mol
Molecular Formula C21H26Br2O2
Exact Mass 468.029956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WSAO1vy4pJ
Name cis-2-(2,2-Dibromo-vinyl)-3,3-dimethyl-cyclopropanoic acid, 3-phenethyl-cyclopentyl ester
Comments from mixture with trans-isomer
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Formula C21H26Br2O2
InChI InChI=1S/C21H26Br2O2/c1-21(2)17(13-18(22)23)19(21)20(24)25-16-11-10-15(12-16)9-8-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3
InChIKey ABXTZXNQLCLTMW-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