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] |