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6,6-DIMETHYL-CYCLOHEX-1-ENYL-TRIFLUOROMETHANESULPHONATE
SpectraBase Compound ID Cc2iFFnhnh5
InChI InChI=1S/C9H13F3O3S/c1-8(2)6-4-3-5-7(8)15-16(13,14)9(10,11)12/h5H,3-4,6H2,1-2H3
InChIKey OTLLKMUTOQEFII-UHFFFAOYSA-N
Mol Weight 258.26 g/mol
Molecular Formula C9H13F3O3S
Exact Mass 258.05375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XYO8w3XLCq
Name 6,6-DIMETHYL-CYCLOHEX-1-ENYL-TRIFLUOROMETHANESULPHONATE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13F3O3S
InChI InChI=1S/C9H13F3O3S/c1-8(2)6-4-3-5-7(8)15-16(13,14)9(10,11)12/h5H,3-4,6H2,1-2H3
InChIKey OTLLKMUTOQEFII-UHFFFAOYSA-N
Literature Reference Author D.S.D.MIRANDA,G.J.A.D.CONCEICAO,J.ZUKERMAN-SCHPECTOR,M.C.GUE RRERO,U.SCHUCHARDT,A
Literature Reference Citation J.BRAZ.CHEM.SOC.,12,391(2001)
Literature Reference DOI 10.1590/s0103-50532001000300011
Molecular Weight 258.256 g/mol
Solvent CDCl3
Source File Reference UWPA1354