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2-O-[(4-Methylphenyl)sulfonyl]-1,6-anhydro-3,4-dideoxy-.beta.,D-threo-hexopyranose
SpectraBase Compound ID 3cDqs6Js8fl
InChI InChI=1S/C13H16O5S/c1-9-2-5-11(6-3-9)19(14,15)18-12-7-4-10-8-16-13(12)17-10/h2-3,5-6,10,12-13H,4,7-8H2,1H3/t10-,12+,13?/m0/s1
InChIKey QSVFNZDVKKFZGC-LQNXFFKNSA-N
Mol Weight 284.33 g/mol
Molecular Formula C13H16O5S
Exact Mass 284.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeCmTa6bxaA
Name 2-O-[(4-Methylphenyl)sulfonyl]-1,6-anhydro-3,4-dideoxy-.beta.,D-threo-hexopyranose
Alternate Name(s) (1S,4R)-6,8-dioxabicyclo[3.2.1]octan-4-yl 4-methylbenzene-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5S
InChI InChI=1S/C13H16O5S/c1-9-2-5-11(6-3-9)19(14,15)18-12-7-4-10-8-16-13(12)17-10/h2-3,5-6,10,12-13H,4,7-8H2,1H3/t10-,12+,13?/m0/s1
InChIKey QSVFNZDVKKFZGC-LQNXFFKNSA-N
Molecular Weight 284.326 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C2O[C@@](CC1)(CO2)[H])[H]
SPLASH splash10-03fr-1900000000-9e83935137086d2b1d6c
Source of Spectrum J-63-8139-15
Wiley ID 1287510