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3-((trifluoromethyl)thio)benzonitrile
SpectraBase Compound ID HLE08kEM4Ez
InChI InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H
InChIKey CIIUZJBOSHGHSN-UHFFFAOYSA-N
Mol Weight 203.18 g/mol
Molecular Formula C8H4F3NS
Exact Mass 203.001655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43XTvQXVIiC
Name 3-((trifluoromethyl)thio)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NS
InChI InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H
InChIKey CIIUZJBOSHGHSN-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2013.10.028
Molecular Weight 203.182 g/mol
SMILES c1ccc(cc1C#N)SC(F)(F)F
SPLASH splash10-001i-4920000000-073f4c1f74e52bb6881f
Source of Spectrum Lijuan Zhai, et al. Tetrahedron, 10.1016/j.tet.2013.10.028
Wiley ID 1817137