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1,1,1-TRIFLUORO-3-(OCTANE-1-SULFONYL)-PROPANE-2,2-DIOL
SpectraBase Compound ID 6wFCwXdPg2B
InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3
InChIKey OLWUZZLDMIIGAL-UHFFFAOYSA-N
Mol Weight 306.34 g/mol
Molecular Formula C11H21F3O4S
Exact Mass 306.111265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXRA4yTe4Vg
Name 1,1,1-TRIFLUORO-3-(OCTANE-1-SULFONYL)-PROPANE-2,2-DIOL
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H21F3O4S
InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3
InChIKey OLWUZZLDMIIGAL-UHFFFAOYSA-N
Literature Reference Author C.E.WHEELOCK,M.E.COLVIN,I.UEMURA,M.M.OLMSTEAD,J.R.SANBORN,Y. NAKAGAWA,A.D.JONES,B
Literature Reference Citation J.MED.CHEM.,45,5576(2002)
Literature Reference DOI 10.1021/jm020072w
Molecular Weight 306.341 g/mol
Sample ID 65681
Solvent CDCl3