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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 FY0ULzZTVV3
Name 2-chloro-4-cyclopropylphenyl trifluoromethanesulfonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.983477478 u
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
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 300.679 g/mol
Quality 345
Reported Formula C10H8ClF3O3S
SMILES C1(=C(C=CC(=C1)C1CC1)OS(C(F)(F)F)(=O)=O)Cl
SPLASH splash10-0gb9-2901000000-6a8d7b0f0032e3d9ef76
Source of Spectrum ACI-56-SM13-4d (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.57 (Hexane/EtOAc, 20:1)
Wiley ID 1895986