For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-(Benzo[b]thien-3-yl)-3-(o-tolylethynyl)pyridine
SpectraBase Compound ID 2W3B7KP7fJb
InChI InChI=1S/C22H15NS/c1-16-6-2-3-7-17(16)10-11-18-14-23-13-12-19(18)21-15-24-22-9-5-4-8-20(21)22/h2-9,12-15H,1H3
InChIKey VHMCVBOKJPBRST-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C22H15NS
Exact Mass 325.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8X181zwzI88
Name 4-(Benzo[b]thien-3-yl)-3-(o-tolylethynyl)pyridine
Appearance Pale-green solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15NS
InChI InChI=1S/C22H15NS/c1-16-6-2-3-7-17(16)10-11-18-14-23-13-12-19(18)21-15-24-22-9-5-4-8-20(21)22/h2-9,12-15H,1H3
InChIKey VHMCVBOKJPBRST-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 325.429 g/mol
Quality 371
Reported Formula C22H15NS
SMILES C1=2SC=C(C2C=CC=C1)C1=C(C=NC=C1)C#CC1=CC=CC=C1C
SPLASH splash10-00di-0009000000-92cc726c19e169b7619c
Source of Spectrum K1-2022-SM17-2p (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.31 (Heptane/EtOAc, 3:1)
Wiley ID 1899027