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4-(Benzo[b]thien-3-yl)-3-(p-tolylethynyl)pyridine
SpectraBase Compound ID 6DNytBEBPjH
InChI InChI=1S/C22H15NS/c1-16-6-8-17(9-7-16)10-11-18-14-23-13-12-19(18)21-15-24-22-5-3-2-4-20(21)22/h2-9,12-15H,1H3
InChIKey XHQMIZUPEWQDRY-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C22H15NS
Exact Mass 325.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSKrRas5UJa
Name 4-(Benzo[b]thien-3-yl)-3-(p-tolylethynyl)pyridine
Appearance Yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15NS
InChI InChI=1S/C22H15NS/c1-16-6-8-17(9-7-16)10-11-18-14-23-13-12-19(18)21-15-24-22-5-3-2-4-20(21)22/h2-9,12-15H,1H3
InChIKey XHQMIZUPEWQDRY-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 359
Reported Formula C22H15NS
SMILES C1=2SC=C(C2C=CC=C1)C1=C(C=NC=C1)C#CC1=CC=C(C=C1)C
SPLASH splash10-05fr-0009000000-53dbebb8c56e3fa89730
Source of Spectrum K1-2022-SM15-2m (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.30 (Heptane/EtOAc, 3:1)
Wiley ID 1899024