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 Google Search
Mol Weight	217.21 g/mol
Molecular Formula	C9H6F3NS
Exact Mass	217.017305 g/mol

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SpectraBase Spectrum ID	6Lp02noEMYm
Name	3-((Trifluoromethyl)thio)-7-azaindole
Appearance	White solid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	217.017304860 u
Formula	C9H6F3NS
GC Column	HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
GC Oven Program	Oven temp 280oC
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	Agilent Technologies 7890A Agilent 5975C VL MSD or 5975 inert MSD
Ionization Type	EI
Literature Reference DOI	10.1002/chem.201500957
Molecular Weight	217.209 g/mol
Quality	35
SMILES	N1C=C(C2=C1C=CC=C2)SC(F)(F)F
SPLASH	splash10-00kb-0950000000-958636870c84b1c5ace1
Source of Spectrum	QE-21-SM26-26-1 (DOI: 10.1002/chem.201500957)
Thin-Layer Chromatography	0.28 (n-Pentane/Et2O, 30%)
Wiley ID	1906588