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Methyl 3-o-tosyl-.beta.,D-glucopyranoside
SpectraBase Compound ID 9MUzyjtplZ5
InChI InChI=1S/C14H20O8S/c1-8-3-5-9(6-4-8)23(18,19)22-13-11(16)10(7-15)21-14(20-2)12(13)17/h3-6,10-17H,7H2,1-2H3/t10-,11-,12-,13+,14-/m1/s1
InChIKey OHNUVTOTNGCNBD-XGFWRYKXSA-N
Mol Weight 348.37 g/mol
Molecular Formula C14H20O8S
Exact Mass 348.087889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0lCP3nefhQ
Name Methyl 3-o-tosyl-.beta.,D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.087888770 u
Formula C14H20O8S
InChI InChI=1S/C14H20O8S/c1-8-3-5-9(6-4-8)23(18,19)22-13-11(16)10(7-15)21-14(20-2)12(13)17/h3-6,10-17H,7H2,1-2H3/t10-,11-,12-,13+,14-/m1/s1
InChIKey OHNUVTOTNGCNBD-XGFWRYKXSA-N
Molecular Weight 348.366 g/mol
SMILES [C@]1(OS(C=2C=CC(=CC2)C)(=O)=O)([C@]([C@](OC)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H]