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(4S,5S)-1-(2,2-DIMETHYL-5-TRIFLUOROMETHYLSULFONYLMETHYL-1,3-DIOXOLAN-4-YLMETHYL)-PYRIDINIUM-CHLORIDE
SpectraBase Compound ID FBhKeuczlrS
InChI InChI=1S/C13H17F3NO5S.ClH/c1-12(2)21-10(8-17-6-4-3-5-7-17)11(22-12)9-20-23(18,19)13(14,15)16;/h3-7,10-11H,8-9H2,1-2H3;1H/q+1;/p-1/t10-,11-;/m0./s1
InChIKey BZAFIYXXIYVKQH-ACMTZBLWSA-M
Mol Weight 391.79 g/mol
Molecular Formula C13H17ClF3NO5S
Exact Mass 391.046806 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2s7TJfR1qMi
Name (4S,5S)-1-(2,2-DIMETHYL-5-TRIFLUOROMETHYLSULFONYLMETHYL-1,3-DIOXOLAN-4-YLMETHYL)-PYRIDINIUM-CHLORIDE
Compound Number II
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17ClF3NO5S
InChI InChI=1S/C13H17F3NO5S.ClH/c1-12(2)21-10(8-17-6-4-3-5-7-17)11(22-12)9-20-23(18,19)13(14,15)16;/h3-7,10-11H,8-9H2,1-2H3;1H/q+1;/p-1/t10-,11-;/m0./s1
InChIKey BZAFIYXXIYVKQH-ACMTZBLWSA-M
Literature Reference Author B.A.SHAINYAN,M.V.USTINOV,L.O.NINDAKOVA
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1757(2001)
Literature Reference DOI 10.1023/A:1013986304683
Solvent CDCl3
Source File Reference UWVN5733