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3-[(Trifluoromethyl)thio]benzo[b]thiophene
SpectraBase Compound ID AC2KLHex8tj
InChI InChI=1S/C9H5F3S2/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5H
InChIKey ZNOQBLLUDZLGRE-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C9H5F3S2
Exact Mass 233.978477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pDygzWIvFa
Name 3-[(Trifluoromethyl)thio]benzo[b]thiophene
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F3S2
GC Oven Program Oven temp 270oC
InChI InChI=1S/C9H5F3S2/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5H
InChIKey ZNOQBLLUDZLGRE-UHFFFAOYSA-N
Instrument Name Hewlett Packard 6890
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800551
Molecular Weight 234.254 g/mol
Quality 208
SMILES C=1(SC(F)(F)F)C2=C(SC1)C=CC=C2
SPLASH splash10-0159-0950000000-1fb5ff523e73c400ab31
Source of Spectrum K1-2018-3842-3p (DOI: 10.1002/ejoc.201800551)
Wiley ID 1894168