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METHYL-(4S,5R)-2-BROMO-4,5-DIHYDROXY-3-OXOCYCLOHEX-1-ENECARBOXYLATE
SpectraBase Compound ID CtvWxktyltK
InChI InChI=1S/C8H9BrO5/c1-14-8(13)3-2-4(10)6(11)7(12)5(3)9/h4,6,10-11H,2H2,1H3/t4-,6+/m1/s1
InChIKey NDIFSTPPXPPKLH-XINAWCOVSA-N
Mol Weight 265.06 g/mol
Molecular Formula C8H9BrO5
Exact Mass 263.963336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMYnFkToo1X
Name METHYL-(4S,5R)-2-BROMO-4,5-DIHYDROXY-3-OXOCYCLOHEX-1-ENECARBOXYLATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9BrO5
InChI InChI=1S/C8H9BrO5/c1-14-8(13)3-2-4(10)6(11)7(12)5(3)9/h4,6,10-11H,2H2,1H3/t4-,6+/m1/s1
InChIKey NDIFSTPPXPPKLH-XINAWCOVSA-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 265.060 g/mol
Sample ID 27945
Solvent ACETONE-D6