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(3S,5S)-3,5-bis(5-bromo-2,4-dimethoxyphenyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one
SpectraBase Compound ID 3tf3NaVh6jJ
InChI InChI=1S/C26H30Br2O7/c1-26(34-6-7-35-26)25-17(15-10-19(27)23(32-4)12-21(15)30-2)8-14(29)9-18(25)16-11-20(28)24(33-5)13-22(16)31-3/h10-13,17-18,25H,6-9H2,1-5H3/t17-,18-/m1/s1
InChIKey XOLDSRIKXNTQJF-QZTJIDSGSA-N
Mol Weight 614.33 g/mol
Molecular Formula C26H30Br2O7
Exact Mass 612.035829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Iqvflqe3BS
Name (3S,5S)-3,5-bis(5-bromo-2,4-dimethoxyphenyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30Br2O7
InChI InChI=1S/C26H30Br2O7/c1-26(34-6-7-35-26)25-17(15-10-19(27)23(32-4)12-21(15)30-2)8-14(29)9-18(25)16-11-20(28)24(33-5)13-22(16)31-3/h10-13,17-18,25H,6-9H2,1-5H3/t17-,18-/m1/s1
InChIKey XOLDSRIKXNTQJF-QZTJIDSGSA-N
Literature Reference Author G.M.KESERUE,R.KLINGA,G.MEZEY-VANDOR,M.NOGRADI,G.TOTH
Literature Reference Citation MH.CHEM.,125,425(1994)
Literature Reference DOI 10.1007/BF00811860
Molecular Weight 614.328 g/mol
Solvent C6D6
Source File Reference UWPR1770