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2-chloro-4-cyclopropylphenyl trifluoromethanesulfonate
SpectraBase Compound ID HNpTpw7YXLK
InChI InChI=1S/C10H8ClF3O3S/c11-8-5-7(6-1-2-6)3-4-9(8)17-18(15,16)10(12,13)14/h3-6H,1-2H2
InChIKey ZDGZSGLENBJICB-UHFFFAOYSA-N
Mol Weight 300.68 g/mol
Molecular Formula C10H8ClF3O3S
Exact Mass 299.983477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGOReNDyAEa
Name 2-chloro-4-cyclopropylphenyl trifluoromethanesulfonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClF3O3S
InChI InChI=1S/C10H8ClF3O3S/c11-8-5-7(6-1-2-6)3-4-9(8)17-18(15,16)10(12,13)14/h3-6H,1-2H2
InChIKey ZDGZSGLENBJICB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 300.679 g/mol
Reported Formula C10H8ClF3O3S
SMILES c1c(OS(C(F)(F)F)(=O)=O)c(cc(c1)C1CC1)Cl
SPLASH splash10-0gb9-2901000000-b47231ff131de969f05f
Source of Spectrum ACI-59-SM13-4d
Thin-Layer Chromatography Rf = 0.57 (Hexane/EtOAc, 20:1)
Wiley ID 1857900