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1,2,3,4-Tetra-O-acetyl-B-D-glucopyranose (2-cyano-ethyl)phosphorothioate anion
SpectraBase Compound ID 6wAsoe5BPJH
InChI InChI=1S/C17H24NO12PS/c1-9(19)26-14-13(8-25-31(23,32)24-7-5-6-18)30-17(29-12(4)22)16(28-11(3)21)15(14)27-10(2)20/h13-17H,5,7-8H2,1-4H3,(H,23,32)/p-1
InChIKey KTWHSTZOTSLQCG-UHFFFAOYSA-M
Mol Weight 496.4 g/mol
Molecular Formula C17H23NO12PS
Exact Mass 496.067858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fbvBc7eaE7
Name 1,2,3,4-Tetra-O-acetyl-B-D-glucopyranose (2-cyano-ethyl)phosphorothioate anion
Comments ADDITIONAL SIGNALS PRESENT, TRIETHYLAMMONIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H23NO12PS
InChI InChI=1S/C17H24NO12PS/c1-9(19)26-14-13(8-25-31(23,32)24-7-5-6-18)30-17(29-12(4)22)16(28-11(3)21)15(14)27-10(2)20/h13-17H,5,7-8H2,1-4H3,(H,23,32)/p-1
InChIKey KTWHSTZOTSLQCG-UHFFFAOYSA-M
Instrument Name Jeol FX-90
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