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1,1,1-TRIFLUORO-3-HEXYLSULFANYLPROPAN-2-ONE
SpectraBase Compound ID D3rT4LQmfCe
InChI InChI=1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
InChIKey JKYLDTTWQQEIHX-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C9H15F3OS
Exact Mass 228.079571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13IL8LN5K50
Name 1,1,1-TRIFLUORO-3-HEXYLSULFANYLPROPAN-2-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H15F3OS
InChI InChI=1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
InChIKey JKYLDTTWQQEIHX-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 228.273 g/mol
Sample ID 65679
Solvent CDCl3