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(2S,5S)-HEXANE-2,5-DIOL-CYCLIC-SULFATE
SpectraBase Compound ID DCE02CJDfDk
InChI InChI=1S/C6H12O4S/c1-5-3-4-6(2)10-11(7,8)9-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey FFNNTDFOYJVHHU-WDSKDSINSA-N
Mol Weight 180.22 g/mol
Molecular Formula C6H12O4S
Exact Mass 180.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mh4Tnrjbiw
Name (2S,5S)-HEXANE-2,5-DIOL-CYCLIC-SULFATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12O4S
InChI InChI=1S/C6H12O4S/c1-5-3-4-6(2)10-11(7,8)9-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey FFNNTDFOYJVHHU-WDSKDSINSA-N
Literature Reference Author J.ILLESINGHE,R.EBELING,B.FERGUSON,J.PATEL,E.M.CAMPI,W.R.JACK SON,A.J.ROBINSON
Literature Reference Citation AUSTR.J.CHEM.,57,167(2004)
Literature Reference DOI 10.1071/CH03238
Molecular Weight 180.219 g/mol
Solvent CDCl3
Source File Reference UWVN7422