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DIETHYL-1-BROMO-1-(4,6-DIBROMO-5-METHYL-3-OXO-CYCLOHEX-1-ENYL)-ETHYL-PHOSPHONATE;ISOMER-A

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DIETHYL-1-BROMO-1-(4,6-DIBROMO-5-METHYL-3-OXO-CYCLOHEX-1-ENYL)-ETHYL-PHOSPHONATE;ISOMER-A
SpectraBase Compound ID JmBdJdzkS7w
InChI InChI=1S/C13H20Br3O4P/c1-5-19-21(18,20-6-2)13(4,16)9-7-10(17)12(15)8(3)11(9)14/h7-8,11-12H,5-6H2,1-4H3
InChIKey BTKJIRMPYXSRNJ-UHFFFAOYSA-N
Mol Weight 510.98 g/mol
Molecular Formula C13H20Br3O4P
Exact Mass 507.864935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0DzkbpZ5R2
Name DIETHYL-1-BROMO-1-(4,6-DIBROMO-5-METHYL-3-OXO-CYCLOHEX-1-ENYL)-ETHYL-PHOSPHONATE;ISOMER-B
Compound Number 12
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C13H20Br3O4P/c1-5-19-21(18,20-6-2)13(4,16)9-7-10(17)12(15)8(3)11(9)14/h7-8,11-12H,5-6H2,1-4H3
InChIKey BTKJIRMPYXSRNJ-UHFFFAOYSA-N
Literature Reference M.J.MPHAHLELE,A.PIENAAR,T.A.MODRO J.CHEM.SOC.PERKIN-2,1455(1996)
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING