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2-o-p-Toluenesulfonyl-D-mannosan
SpectraBase Compound ID GanGkreRHpv
InChI InChI=1S/C13H16O7S/c1-7-2-4-8(5-3-7)21(16,17)20-12-11(15)10(14)9-6-18-13(12)19-9/h2-5,9-15H,6H2,1H3/t9-,10-,11+,12+,13?/m1/s1
InChIKey SLBPXGGBTQVDQH-BWOQGFTMSA-N
Mol Weight 316.32 g/mol
Molecular Formula C13H16O7S
Exact Mass 316.061674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXQZnoX8qAL
Name 2-o-p-Toluenesulfonyl-D-mannosan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.061674022 u
Formula C13H16O7S
InChI InChI=1S/C13H16O7S/c1-7-2-4-8(5-3-7)21(16,17)20-12-11(15)10(14)9-6-18-13(12)19-9/h2-5,9-15H,6H2,1H3/t9-,10-,11+,12+,13?/m1/s1
InChIKey SLBPXGGBTQVDQH-BWOQGFTMSA-N
Molecular Weight 316.324 g/mol
SMILES [C@@]1([C@@]2(OC([C@]([C@]1(O)[H])(OS(=O)(=O)C1=CC=C(C=C1)C)[H])OC2)[H])(O)[H]