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PARA-METHOXYBENZYL-(4S,5R)-2-BROMO-4-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-5-HYDROXY-3-OXOCYCLOHEX-1-ENECARBOXYLATE
SpectraBase Compound ID Adk1Lkc3RrC
InChI InChI=1S/C21H29BrO6Si/c1-21(2,3)29(5,6)28-19-16(23)11-15(17(22)18(19)24)20(25)27-12-13-7-9-14(26-4)10-8-13/h7-10,16,19,23H,11-12H2,1-6H3/t16-,19+/m0/s1
InChIKey SQBFNOBPVMVBNV-QFBILLFUSA-N
Mol Weight 485.45 g/mol
Molecular Formula C21H29BrO6Si
Exact Mass 484.091678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjVDYpuVAyF
Name PARA-METHOXYBENZYL-(4S,5R)-2-BROMO-4-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-5-HYDROXY-3-OXOCYCLOHEX-1-ENECARBOXYLATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29BrO6Si
InChI InChI=1S/C21H29BrO6Si/c1-21(2,3)29(5,6)28-19-16(23)11-15(17(22)18(19)24)20(25)27-12-13-7-9-14(26-4)10-8-13/h7-10,16,19,23H,11-12H2,1-6H3/t16-,19+/m0/s1
InChIKey SQBFNOBPVMVBNV-QFBILLFUSA-N
Literature Reference Author C.GONZALES-BELLO,M.K.MANTHEY,J.H.HARRIS,A.R.HAWKINS,J.R.COGG INS,C.ABELL
Literature Reference Citation J.ORG.CHEM.,63,1591(1998)
Literature Reference DOI 10.1021/jo971858i
Molecular Weight 485.447 g/mol
Sample ID 27948
Solvent CDCl3