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1,2:5,6-di-o-Isopropylidene-3-o-(4-fluorophenoxy)thionocarbonyl-.alpha.-D-glucofuranose
SpectraBase Compound ID G5qXhcNU0ML
InChI InChI=1S/C19H23FO7S/c1-18(2)21-9-12(25-18)13-14(15-16(23-13)27-19(3,4)26-15)24-17(28)22-11-7-5-10(20)6-8-11/h5-8,12-16H,9H2,1-4H3
InChIKey FKOCZXXTRFFPPK-UHFFFAOYSA-N
Mol Weight 414.44 g/mol
Molecular Formula C19H23FO7S
Exact Mass 414.114852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ejz5zFJlQD7
Name 1,2:5,6-di-o-Isopropylidene-3-o-(4-fluorophenoxy)thionocarbonyl-.alpha.-D-glucofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.114852411 u
Formula C19H23FO7S
InChI InChI=1S/C19H23FO7S/c1-18(2)21-9-12(25-18)13-14(15-16(23-13)27-19(3,4)26-15)24-17(28)22-11-7-5-10(20)6-8-11/h5-8,12-16H,9H2,1-4H3
InChIKey FKOCZXXTRFFPPK-UHFFFAOYSA-N
Molecular Weight 414.444 g/mol
SMILES C12C(OC(C2OC(=S)OC=2C=CC(=CC2)F)C2OC(C)(C)OC2)OC(O1)(C)C