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METHYL-(2,3-DI-O-BENZOYL-4-DEOXY-4-FLUORO-ALPHA-D-GLUCOPYRANOSYL-BROMIDE)-URONATE
SpectraBase Compound ID K32Hl7lnNVx
InChI InChI=1S/C21H18BrFO7/c1-27-21(26)16-14(23)15(29-19(24)12-8-4-2-5-9-12)17(18(22)28-16)30-20(25)13-10-6-3-7-11-13/h2-11,14-18H,1H3/t14-,15-,16-,17+,18-/m0/s1
InChIKey UNRAUQWKCMLDAO-TXTZMMAHSA-N
Mol Weight 481.27 g/mol
Molecular Formula C21H18BrFO7
Exact Mass 480.021994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuQeUQDbmr3
Name METHYL-(2,3-DI-O-BENZOYL-4-DEOXY-4-FLUORO-ALPHA-D-GLUCOPYRANOSYL-BROMIDE)-URONATE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18BrFO7
InChI InChI=1S/C21H18BrFO7/c1-27-21(26)16-14(23)15(29-19(24)12-8-4-2-5-9-12)17(18(22)28-16)30-20(25)13-10-6-3-7-11-13/h2-11,14-18H,1H3/t14-,15-,16-,17+,18-/m0/s1
InChIKey UNRAUQWKCMLDAO-TXTZMMAHSA-N
Literature Reference Author A.M.ESMURZIEV,A.REIMERS,T.ANDREASSEN,N.SIMIC,E.SUNDBY,B.H.HO FF
Literature Reference Citation MOLECULES,17,820(2012)
Literature Reference DOI 10.3390/molecules17010820
Molecular Weight 481.272 g/mol
Sample ID 73017
Solvent CDCl3