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4-BROMO-5-HYDROXY-3-(1-HYDROXYBUTYL)-5-METHYL-2-(5H)-FURANONE;BROMOBECKERELIDE
SpectraBase Compound ID IWRT3OJIJuK
InChI InChI=1S/C9H13BrO4/c1-3-4-5(11)6-7(10)9(2,13)14-8(6)12/h5,11,13H,3-4H2,1-2H3
InChIKey AOOHYYJGKJWREN-UHFFFAOYSA-N
Mol Weight 265.1 g/mol
Molecular Formula C9H13BrO4
Exact Mass 263.999722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXAh2mOxsUb
Name 4-BROMO-5-HYDROXY-3-(1-HYDROXYBUTYL)-5-METHYL-2-(5H)-FURANONE;BROMOBECKERELIDE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13BrO4
InChI InChI=1S/C9H13BrO4/c1-3-4-5(11)6-7(10)9(2,13)14-8(6)12/h5,11,13H,3-4H2,1-2H3
InChIKey AOOHYYJGKJWREN-UHFFFAOYSA-N
Literature Reference Author P.DEMARCH,J.FONT,A.GRACIA,Z.QINGYING
Literature Reference Citation J.ORG.CHEM.,60,1814(1995)
Literature Reference DOI 10.1021/jo00111a045
Molecular Weight 265.104 g/mol
Solvent CDCl3
Source File Reference UWGE673