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(1a,2a,3b,4b,5a,6A)-7-Oxa-bicyclo(4.1.0)heptane-2,3,4,5-tetraol 3,4-bis(4-toluolsulfonate)
SpectraBase Compound ID 5o9gZRzqGmk
InChI InChI=1S/C20H22O9S2/c1-11-3-7-13(8-4-11)30(23,24)28-19-15(21)17-18(27-17)16(22)20(19)29-31(25,26)14-9-5-12(2)6-10-14/h3-10,15-22H,1-2H3
InChIKey VTVSBOQJIVPRQV-UHFFFAOYSA-N
Mol Weight 470.51 g/mol
Molecular Formula C20H22O9S2
Exact Mass 470.070525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkT4XSIrMMq
Name (1a,2a,3b,4b,5a,6A)-7-Oxa-bicyclo(4.1.0)heptane-2,3,4,5-tetraol 3,4-bis(4-toluolsulfonate)
CAS Registry Number 55990-83-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H22O9S2
InChI InChI=1S/C20H22O9S2/c1-11-3-7-13(8-4-11)30(23,24)28-19-15(21)17-18(27-17)16(22)20(19)29-31(25,26)14-9-5-12(2)6-10-14/h3-10,15-22H,1-2H3
InChIKey VTVSBOQJIVPRQV-UHFFFAOYSA-N
Literature Reference R. Keller, R. Schwesinger, H. Prinzbach, Chem. Ber. 112, 3347 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6