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4-Chloro-2-[(trifluoromethyl)thio]aniline
SpectraBase Compound ID He9rKH6aILM
InChI InChI=1S/C7H5ClF3NS/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2
InChIKey VAMCSDCFCWHHIE-UHFFFAOYSA-N
Mol Weight 227.63 g/mol
Molecular Formula C7H5ClF3NS
Exact Mass 226.978333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEYIEFNd44k
Name 4-Chloro-2-[(trifluoromethyl)thio]aniline
Appearance Orange viscous liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.978332528 u
Formula C7H5ClF3NS
GC Oven Program Oven temp 270oC
InChI InChI=1S/C7H5ClF3NS/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2
InChIKey VAMCSDCFCWHHIE-UHFFFAOYSA-N
Instrument Name Hewlett Packard 6890
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800551
Molecular Weight 227.632 g/mol
Quality 286
Reported Formula C7H5ClF3NS
SMILES NC1=C(SC(F)(F)F)C=C(C=C1)Cl
SPLASH splash10-056r-1980000000-b2819260f3ec7fe7fec1
Source of Spectrum K1-2018-3841-4b (DOI: 10.1002/ejoc.201800551)
Wiley ID 1894171