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Dimethyl dibromo-octahydro-1,5,7-metheno-1H-cyclopropa(3,4)cyclopenta(1,2)cyclononene-3,9-dicarboxylate
SpectraBase Compound ID LS0orAws1Gc
InChI InChI=1S/C18H18Br2O4/c1-23-17(21)7-3-5-9-6(15(5)19)4-8(18(22)24-2)11-10(7)13-12(9)14(13)16(11)20/h3-6,9-16H,1-2H3/b8-4+
InChIKey SSRWXQIBTIMKKQ-XBXARRHUSA-N
Mol Weight 458.15 g/mol
Molecular Formula C18H18Br2O4
Exact Mass 455.957185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGjCx5Ft3mr
Name Dimethyl dibromo-octahydro-1,5,7-metheno-1H-cyclopropa(3,4)cyclopenta(1,2)cyclononene-3,9-dicarboxylate
Comments CHEMICAL BOND BETWEEN C2-BR24 IS NOT REPRESENTABLE (1A,1AB,2A,2AB,5A,6B,7A,9AB,9BB)-CONFIGURATION
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Formula C18H18Br2O4
InChI InChI=1S/C18H18Br2O4/c1-23-17(21)7-3-5-9-6(15(5)19)4-8(18(22)24-2)11-10(7)13-12(9)14(13)16(11)20/h3-6,9-16H,1-2H3/b8-4+
InChIKey SSRWXQIBTIMKKQ-XBXARRHUSA-N
Literature Reference M. Christl, S. Freund, H. Henneberger, J. Am. Chem. Soc. 110, 3263 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3