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METHYL-2,3-DI-O-BENZOYL-4-FLUORO-ALPHA-D-GLUCOPYRANUROIC-ACID
SpectraBase Compound ID CxH4Kqwhpcn
InChI InChI=1S/C21H19FO8/c1-27-21-17(29-20(26)13-10-6-3-7-11-13)15(14(22)16(30-21)18(23)24)28-19(25)12-8-4-2-5-9-12/h2-11,14-17,21H,1H3,(H,23,24)/t14-,15-,16-,17+,21-/m0/s1
InChIKey UJFZXMDHVZIRQS-NKJJTKGUSA-N
Mol Weight 418.37 g/mol
Molecular Formula C21H19FO8
Exact Mass 418.106396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SJpR6TES90
Name METHYL-2,3-DI-O-BENZOYL-4-FLUORO-ALPHA-D-GLUCOPYRANUROIC-ACID
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19FO8
InChI InChI=1S/C21H19FO8/c1-27-21-17(29-20(26)13-10-6-3-7-11-13)15(14(22)16(30-21)18(23)24)28-19(25)12-8-4-2-5-9-12/h2-11,14-17,21H,1H3,(H,23,24)/t14-,15-,16-,17+,21-/m0/s1
InChIKey UJFZXMDHVZIRQS-NKJJTKGUSA-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 418.375 g/mol
Sample ID 73010
Solvent DMSO-D6