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S-(Trifluoromethyl) 4-chlorobenzothioate
SpectraBase Compound ID FgX42QGhOW1
InChI InChI=1S/C8H4ClF3OS/c9-6-3-1-5(2-4-6)7(13)14-8(10,11)12/h1-4H
InChIKey GYDGLKMEGPOALV-UHFFFAOYSA-N
Mol Weight 240.63 g/mol
Molecular Formula C8H4ClF3OS
Exact Mass 239.962348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2e6eHmc4tde
Name S-(Trifluoromethyl) 4-chlorobenzothioate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.962348111 u
Formula C8H4ClF3OS
InChI InChI=1S/C8H4ClF3OS/c9-6-3-1-5(2-4-6)7(13)14-8(10,11)12/h1-4H
InChIKey GYDGLKMEGPOALV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104395
Molecular Weight 240.627 g/mol
Quality 71
Reported Formula C8H4ClF3OS
SMILES C(SC(F)(F)F)(C1=CC=C(C=C1)Cl)=O
SPLASH splash10-01p9-0900000000-a2667fa0cdbddbd6f88b
Source of Spectrum QE-28-SM4-2b (DOI: 10.1002/chem.202104395)
Wiley ID 1898312