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(1a,2b,4b,5b,6a,7A)-3,8-Dioxa-tricyclo(5.1.0.0/2,4/)octane-5,6-diol 5-(4-toluenesulfonate)

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(1a,2b,4b,5b,6a,7A)-3,8-Dioxa-tricyclo(5.1.0.0/2,4/)octane-5,6-diol 5-(4-toluenesulfonate)
SpectraBase Compound ID GRNQtuxeRtu
InChI InChI=1S/C13H14O6S/c1-6-2-4-7(5-3-6)20(15,16)19-10-8(14)9-11(17-9)13-12(10)18-13/h2-5,8-14H,1H3
InChIKey DAAIEPUGGSJWTD-UHFFFAOYSA-N
Mol Weight 298.31 g/mol
Molecular Formula C13H14O6S
Exact Mass 298.051109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IUjCmdB7ib
Name (1a,2b,4b,5b,6a,7A)-3,8-Dioxa-tricyclo(5.1.0.0/2,4/)octane-5,6-diol 5-(4-toluenesulfonate)
CAS Registry Number 72597-84-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O6S
InChI InChI=1S/C13H14O6S/c1-6-2-4-7(5-3-6)20(15,16)19-10-8(14)9-11(17-9)13-12(10)18-13/h2-5,8-14H,1H3
InChIKey DAAIEPUGGSJWTD-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