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1-Thio-B-D-glucopyranose

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1-Thio-B-D-glucopyranose
SpectraBase Compound ID HktNH8Rffzs
InChI InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey JUSMHIGDXPKSID-DVKNGEFBSA-N
Mol Weight 196.22 g/mol
Molecular Formula C6H12O5S
Exact Mass 196.040545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgWWiNiIn2j
Name 1-Thio-B-D-glucopyranose
CAS Registry Number 7534-35-2
Comments sodium salt
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Formula C6H12O5S
InChI InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey JUSMHIGDXPKSID-DVKNGEFBSA-N
Literature Reference O. Olsen, H. Sorensen, Phytochem. 18, 1547 (1979).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O