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3-[(Trifluoromethyl)thio]-1H-indole
SpectraBase Compound ID Io3XsSVfgvO
InChI InChI=1S/C9H6F3NS/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5,13H
InChIKey VPEMXTXUUMXJNY-UHFFFAOYSA-N
Mol Weight 217.21 g/mol
Molecular Formula C9H6F3NS
Exact Mass 217.017305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DZaXOEwJXz
Name 3-[(Trifluoromethyl)thio]-1H-indole
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.017304860 u
Formula C9H6F3NS
GC Oven Program Oven temp 270oC
InChI InChI=1S/C9H6F3NS/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5,13H
InChIKey VPEMXTXUUMXJNY-UHFFFAOYSA-N
Instrument Name Hewlett Packard 6890
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800551
Molecular Weight 217.209 g/mol
Quality 166
SMILES N1C2=C(C(=C1)SC(F)(F)F)C=CC=C2
SPLASH splash10-00kb-1960000000-f27782864ff6eafe0e18
Source of Spectrum K1-2018-3842-3r (DOI: 10.1002/ejoc.201800551)
Wiley ID 1894169