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2-Chloro-4-(ethylthio)phenyl trifluoromethanesulfonate
SpectraBase Compound ID DZOJpfGDYqR
InChI InChI=1S/C9H8ClF3O3S2/c1-2-17-6-3-4-8(7(10)5-6)16-18(14,15)9(11,12)13/h3-5H,2H2,1H3
InChIKey ZBENIPVFPKGLRS-UHFFFAOYSA-N
Mol Weight 320.73 g/mol
Molecular Formula C9H8ClF3O3S2
Exact Mass 319.955549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Y4UeaK7sEM
Name 2-Chloro-4-(ethylthio)phenyl trifluoromethanesulfonate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.955548652 u
Formula C9H8ClF3O3S2
GC Oven Program Oven temp 250oC
InChI InChI=1S/C9H8ClF3O3S2/c1-2-17-6-3-4-8(7(10)5-6)16-18(14,15)9(11,12)13/h3-5H,2H2,1H3
InChIKey ZBENIPVFPKGLRS-UHFFFAOYSA-N
Inlet Type Split injector
Instrument Name Agilent Technologies 7820A GC-5975 series MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201806036
Molecular Weight 320.728 g/mol
Quality 287
Reported Formula C9H8O3ClF3S2
SMILES C=1C(=C(C=CC1SCC)OS(C(F)(F)F)(=O)=O)Cl
SPLASH splash10-000i-2900000000-37fa1ff6845fdf3bf36c
Source of Spectrum ACI-57-SM18-38 (DOI: 10.1002/anie.201806036)
Thin-Layer Chromatography 0.32 (Pentane, 100%)
Wiley ID 1893398