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2-butyl-4-chlorophenyl trifluoromethanesulfonate
SpectraBase Compound ID Iswb04Bkei1
InChI InChI=1S/C11H12ClF3O3S/c1-2-3-4-8-7-9(12)5-6-10(8)18-19(16,17)11(13,14)15/h5-7H,2-4H2,1H3
InChIKey XUJGBJQUGZNZBT-UHFFFAOYSA-N
Mol Weight 316.72 g/mol
Molecular Formula C11H12ClF3O3S
Exact Mass 316.014778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7S9stIphLgf
Name 2-butyl-4-chlorophenyl trifluoromethanesulfonate
Appearance Colorless oil
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Formula C11H12ClF3O3S
InChI InChI=1S/C11H12ClF3O3S/c1-2-3-4-8-7-9(12)5-6-10(8)18-19(16,17)11(13,14)15/h5-7H,2-4H2,1H3
InChIKey XUJGBJQUGZNZBT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 316.722 g/mol
Reported Formula C11H12ClF3O3S
SMILES C(Cc1c(OS(C(F)(F)F)(=O)=O)ccc(Cl)c1)CC
SPLASH splash10-0006-2901000000-85b4f1d90a8ac2b140cb
Source of Spectrum ACI-59-SM12-4a
Thin-Layer Chromatography Rf = 0.96 (Hexane/EtOAc, 20:1)
Wiley ID 1857897