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1-O-(4-METHYLPHENYLSULFONYL)-SCYLLO-INOSITOL
SpectraBase Compound ID 1cNKx2FyNlR
InChI InChI=1S/C13H18O8S/c1-6-2-4-7(5-3-6)22(19,20)21-13-11(17)9(15)8(14)10(16)12(13)18/h2-5,8-18H,1H3/t8-,9-,10+,11+,12-,13-
InChIKey HSZRCNJISIWNDJ-XESFAPMISA-N
Mol Weight 334.34 g/mol
Molecular Formula C13H18O8S
Exact Mass 334.072239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TuGzgFbU5A
Name 1-O-(4-METHYLPHENYLSULFONYL)-SCYLLO-INOSITOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O8S
InChI InChI=1S/C13H18O8S/c1-6-2-4-7(5-3-6)22(19,20)21-13-11(17)9(15)8(14)10(16)12(13)18/h2-5,8-18H,1H3/t8-,9-,10+,11+,12-,13-
InChIKey HSZRCNJISIWNDJ-XESFAPMISA-N
Literature Reference Author A.SCAFFIDI,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,59,894(2006)
Literature Reference DOI 10.1071/CH06393
Molecular Weight 334.341 g/mol
Sample ID 37707
Solvent DMSO-D6