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.alpha.-D-Mannofuranose, 2,3-o-(1-methylethylidene)-, 1-benzoate 5,6-dimethanesulfonate
SpectraBase Compound ID DAn11L6Nmib
InChI InChI=1S/C18H24O11S2/c1-18(2)27-14-13(12(29-31(4,22)23)10-24-30(3,20)21)25-17(15(14)28-18)26-16(19)11-8-6-5-7-9-11/h5-9,12-15,17H,10H2,1-4H3/t12-,13-,14+,15+,17-/m1/s1
InChIKey CBLKPVCTQUZYBN-LFYQSXPISA-N
Mol Weight 480.5 g/mol
Molecular Formula C18H24O11S2
Exact Mass 480.076004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw7WeVGNfo
Name .alpha.-D-Mannofuranose, 2,3-o-(1-methylethylidene)-, 1-benzoate 5,6-dimethanesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 480.076003930 u
Formula C18H24O11S2
InChI InChI=1S/C18H24O11S2/c1-18(2)27-14-13(12(29-31(4,22)23)10-24-30(3,20)21)25-17(15(14)28-18)26-16(19)11-8-6-5-7-9-11/h5-9,12-15,17H,10H2,1-4H3/t12-,13-,14+,15+,17-/m1/s1
InChIKey CBLKPVCTQUZYBN-LFYQSXPISA-N
Molecular Weight 480.499 g/mol
SMILES [C@]12([C@]([C@@]([C@](OS(=O)(=O)C)(COS(=O)(=O)C)[H])(O[C@@]2(OC(=O)C=2C=CC=CC2)[H])[H])(OC(O1)(C)C)[H])[H]