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METHYL-(METHYL-2,3-DI-O-BENZOYL-4-FLUORO-ALPHA-D-GLUCOPYRANOSIDE)-URONATE
SpectraBase Compound ID LXvxCnCZgU2
InChI InChI=1S/C22H21FO8/c1-27-21(26)17-15(23)16(29-19(24)13-9-5-3-6-10-13)18(22(28-2)31-17)30-20(25)14-11-7-4-8-12-14/h3-12,15-18,22H,1-2H3/t15-,16-,17-,18+,22-/m0/s1
InChIKey KYDRLUBMALTDGX-LGWBKDFWSA-N
Mol Weight 432.4 g/mol
Molecular Formula C22H21FO8
Exact Mass 432.122046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbLOFFMpu9n
Name METHYL-(METHYL-2,3-DI-O-BENZOYL-4-FLUORO-ALPHA-D-GLUCOPYRANOSIDE)-URONATE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21FO8
InChI InChI=1S/C22H21FO8/c1-27-21(26)17-15(23)16(29-19(24)13-9-5-3-6-10-13)18(22(28-2)31-17)30-20(25)14-11-7-4-8-12-14/h3-12,15-18,22H,1-2H3/t15-,16-,17-,18+,22-/m0/s1
InChIKey KYDRLUBMALTDGX-LGWBKDFWSA-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 432.402 g/mol
Sample ID 73014
Solvent CDCl3