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1-Fluoro-4-(trifluoromethylthio)benzene
SpectraBase Compound ID BLJ05Vs3ocN
InChI InChI=1S/C7H4F4S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey BTKQCAUEXFTVNT-UHFFFAOYSA-N
Mol Weight 196.16 g/mol
Molecular Formula C7H4F4S
Exact Mass 195.996984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B08Vm7dFmqG
Name (4-fluorophenyl)(trifluoromethyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 195.996983955 u
Formula C7H4F4S
InChI InChI=1S/C7H4F4S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey BTKQCAUEXFTVNT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02392
Molecular Weight 196.163 g/mol
Quality 257
Reported Formula C7H4F4S
SMILES C1(F)=CC=C(C=C1)SC(F)(F)F
SPLASH splash10-001r-8900000000-ba449c07680aad83f6e2
Source of Spectrum C-144-SM102-40 (DOI: 10.1021/jacs.2c02392)
Wiley ID 1910682