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4-(Benzo[b]thien-3-yl)-3-((4-(trifluoromethyl)phenyl)ethynyl)pyridine
SpectraBase Compound ID HtIJYHxIZID
InChI InChI=1S/C22H12F3NS/c23-22(24,25)17-9-6-15(7-10-17)5-8-16-13-26-12-11-18(16)20-14-27-21-4-2-1-3-19(20)21/h1-4,6-7,9-14H
InChIKey ZLJVRFYJPPNLPF-UHFFFAOYSA-N
Mol Weight 379.4 g/mol
Molecular Formula C22H12F3NS
Exact Mass 379.064255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hi1o1TWji9r
Name 4-(Benzo[b]thien-3-yl)-3-((4-(trifluoromethyl)phenyl)ethynyl)pyridine
Appearance Brown solid
Carrier Gas Helium
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Exact Mass 379.064255053 u
Formula C22H12F3NS
InChI InChI=1S/C22H12F3NS/c23-22(24,25)17-9-6-15(7-10-17)5-8-16-13-26-12-11-18(16)20-14-27-21-4-2-1-3-19(20)21/h1-4,6-7,9-14H
InChIKey ZLJVRFYJPPNLPF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 379.400 g/mol
Quality 186
Reported Formula C22H12F3NS
SMILES C1=2SC=C(C2C=CC=C1)C1=C(C=NC=C1)C#CC1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-004i-0009000000-22eacfb3af44093f8a2b
Source of Spectrum K1-2022-SM19-2s (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.38 (Heptane/EtOAc, 3:1)
Wiley ID 1899030