John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=13iXIP5TuqT SpectraBase Spectrum ID=Fx2mI6k8Way

(accessed ).
(5-S*)-3-BROMO-5-[(1-S*,2-E)-1-HYDROXY-3-IODO-2-METHYLPROPENYL]-5H-FURAN-2-ONE
SpectraBase Compound ID 13iXIP5TuqT
InChI InChI=1S/C8H8BrIO3/c1-4(3-10)7(11)6-2-5(9)8(12)13-6/h2-3,6-7,11H,1H3/b4-3+/t6-,7+/m0/s1
InChIKey HAZDHTUHSMDXGM-HKFDCFJWSA-N
Mol Weight 358.96 g/mol
Molecular Formula C8H8BrIO3
Exact Mass 357.870157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fx2mI6k8Way
Name (5-S*)-3-BROMO-5-[(1-S*,2-E)-1-HYDROXY-3-IODO-2-METHYLPROPENYL]-5H-FURAN-2-ONE
Compound Number 19-(S*,R*)
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8BrIO3
InChI InChI=1S/C8H8BrIO3/c1-4(3-10)7(11)6-2-5(9)8(12)13-6/h2-3,6-7,11H,1H3/b4-3+/t6-,7+/m0/s1
InChIKey HAZDHTUHSMDXGM-HKFDCFJWSA-N
Literature Reference Author B.VAZ,R.ALVAREZ,R.BRUECKNER,A.R.D.LERA
Literature Reference Citation ORG.LETTERS,7,545(2005)
Literature Reference DOI 10.1021/ol0478281
Molecular Weight 358.958 g/mol
Sample ID 42124
Solvent CDCl3
SpectraBase Batch ID 5xTRC809kVO