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1,2,3,4-Tetra-O-acetyl-B-D-glucopyranose bis(2-cyano-ethyl)-phosphorothioate

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1,2,3,4-Tetra-O-acetyl-B-D-glucopyranose bis(2-cyano-ethyl)-phosphorothioate
SpectraBase Compound ID Jk4Bb0xcdrE
InChI InChI=1S/C20H27N2O12PS/c1-12(23)30-17-16(11-29-35(36,27-9-5-7-21)28-10-6-8-22)34-20(33-15(4)26)19(32-14(3)25)18(17)31-13(2)24/h16-20H,5-6,9-11H2,1-4H3
InChIKey IMWWOXFZTOFFKB-UHFFFAOYSA-N
Mol Weight 550.47 g/mol
Molecular Formula C20H27N2O12PS
Exact Mass 550.102232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eBHznpU5Sr
Name 1,2,3,4-Tetra-O-acetyl-B-D-glucopyranose bis(2-cyano-ethyl)-phosphorothioate
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Formula C20H27N2O12PS
InChI InChI=1S/C20H27N2O12PS/c1-12(23)30-17-16(11-29-35(36,27-9-5-7-21)28-10-6-8-22)34-20(33-15(4)26)19(32-14(3)25)18(17)31-13(2)24/h16-20H,5-6,9-11H2,1-4H3
InChIKey IMWWOXFZTOFFKB-UHFFFAOYSA-N
Instrument Name Bruker AM-360
Literature Reference G.R. Baker, D.C. Billington, D.Gani, Tetrahedron 47, 3895 (1991).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3