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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 DDCao3q9f6W
Name 2-butyl-4-chlorophenyl trifluoromethanesulfonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.014777606 u
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
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 316.722 g/mol
Quality 393
Reported Formula C11H12ClF3O3S
SMILES C(CCC)C1=C(C=CC(=C1)Cl)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0006-2901000000-10ccddd1f691724c180f
Source of Spectrum ACI-56-SM12-4a (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.96 (Hexane/EtOAc, 20:1)
Wiley ID 1895983