SpectraBase Spectrum ID |
Hi1o1TWji9r |
Name |
4-(Benzo[b]thien-3-yl)-3-((4-(trifluoromethyl)phenyl)ethynyl)pyridine |
Appearance |
Brown solid |
Carrier Gas |
Helium |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |