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2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-BENZO-1,4-QUINONE
SpectraBase Compound ID 2Vmi4RCHcGG
InChI InChI=1S/C20H22O11S/c1-9(21)27-8-15-17(28-10(2)22)18(29-11(3)23)19(30-12(4)24)20(31-15)32-16-7-13(25)5-6-14(16)26/h5-7,15,17-20H,8H2,1-4H3/t15-,17-,18+,19-,20+/m1/s1
InChIKey VAFKCIDPLSQKCS-PKOFMYQESA-N
Mol Weight 470.45 g/mol
Molecular Formula C20H22O11S
Exact Mass 470.088283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XGMojXLTnc
Name 2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-BENZO-1,4-QUINONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O11S
InChI InChI=1S/C20H22O11S/c1-9(21)27-8-15-17(28-10(2)22)18(29-11(3)23)19(30-12(4)24)20(31-15)32-16-7-13(25)5-6-14(16)26/h5-7,15,17-20H,8H2,1-4H3/t15-,17-,18+,19-,20+/m1/s1
InChIKey VAFKCIDPLSQKCS-PKOFMYQESA-N
Literature Reference Author M.SCHNABELRAUCH,A.VASELLA,S.G.WITHERS
Literature Reference Citation HELV.CHIM.ACTA,77,778(1994)
Literature Reference DOI 10.1002/hlca.19940770319
Molecular Weight 470.448 g/mol
Solvent CDCl3
Source File Reference UWSK2897