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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 BWmRLWd9idu
Name 3-(trifluoromethylsulfanyl)-1H-indole
Appearance Brown liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.017304860 u
Formula C9H6F3NS
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
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200885
Molecular Weight 217.209 g/mol
Quality 337
Reported Formula C9H6F3NS
SMILES N1C=C(C=2C=CC=CC12)SC(F)(F)F
SPLASH splash10-00kb-1960000000-eee0127d227dfb64b9b0
Source of Spectrum K1-2022-SM5-3e (DOI: 10.1002/ejoc.202200885)
Wiley ID 1898907