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2-chloro-4-cyclohexylphenyl trifluoromethanesulfonate
SpectraBase Compound ID 3FKf2EcOUqS
InChI InChI=1S/C13H14ClF3O3S/c14-11-8-10(9-4-2-1-3-5-9)6-7-12(11)20-21(18,19)13(15,16)17/h6-9H,1-5H2
InChIKey VFMKWAWPYWYGAW-UHFFFAOYSA-N
Mol Weight 342.76 g/mol
Molecular Formula C13H14ClF3O3S
Exact Mass 342.030428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ES9BxqPQxXw
Name 2-chloro-4-cyclohexylphenyl trifluoromethanesulfonate
Appearance Colorless oil
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Formula C13H14ClF3O3S
InChI InChI=1S/C13H14ClF3O3S/c14-11-8-10(9-4-2-1-3-5-9)6-7-12(11)20-21(18,19)13(15,16)17/h6-9H,1-5H2
InChIKey VFMKWAWPYWYGAW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 342.760 g/mol
Reported Formula C13H14ClF3O3S
SMILES c1c(OS(C(F)(F)F)(=O)=O)c(cc(c1)C1CCCCC1)Cl
SPLASH splash10-057m-4932000000-f398cc1fed4e853de50e
Source of Spectrum ACI-59-SM13-4e
Thin-Layer Chromatography Rf = 0.62 (Hexane/EtOAc, 20:1)
Wiley ID 1857901