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METHYL-(1S,2R,4S,5R)-2-BROMO-4-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-1,5-DIHYDROXY-3-OXOCYCLOHEXANECARBOXYLATE
SpectraBase Compound ID 2i6p8yFEVzl
InChI InChI=1S/C14H25BrO6Si/c1-13(2,3)22(5,6)21-10-8(16)7-14(19,12(18)20-4)11(15)9(10)17/h8,10-11,16,19H,7H2,1-6H3/t8-,10+,11+,14-/m1/s1
InChIKey PDYCMJSMFWDGRB-RTOGKPCTSA-N
Mol Weight 397.34 g/mol
Molecular Formula C14H25BrO6Si
Exact Mass 396.060378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPjuiRQTOI4
Name METHYL-(1S,2R,4S,5R)-2-BROMO-4-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-1,5-DIHYDROXY-3-OXOCYCLOHEXANECARBOXYLATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H25BrO6Si
InChI InChI=1S/C14H25BrO6Si/c1-13(2,3)22(5,6)21-10-8(16)7-14(19,12(18)20-4)11(15)9(10)17/h8,10-11,16,19H,7H2,1-6H3/t8-,10+,11+,14-/m1/s1
InChIKey PDYCMJSMFWDGRB-RTOGKPCTSA-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 397.338 g/mol
Sample ID 27939
Solvent CDCl3