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4-(Benzo[b]thien-3-yl)-3-((4-methoxyphenyl)ethynyl)pyridine
SpectraBase Compound ID UGBuIkQzoI
InChI InChI=1S/C22H15NOS/c1-24-18-10-7-16(8-11-18)6-9-17-14-23-13-12-19(17)21-15-25-22-5-3-2-4-20(21)22/h2-5,7-8,10-15H,1H3
InChIKey IOKZQCULOCPXTB-UHFFFAOYSA-N
Mol Weight 341.43 g/mol
Molecular Formula C22H15NOS
Exact Mass 341.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pqucmDybV1
Name 4-(Benzo[b]thien-3-yl)-3-((4-methoxyphenyl)ethynyl)pyridine
Appearance Pale-orange solid
Carrier Gas Helium
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Formula C22H15NOS
InChI InChI=1S/C22H15NOS/c1-24-18-10-7-16(8-11-18)6-9-17-14-23-13-12-19(17)21-15-25-22-5-3-2-4-20(21)22/h2-5,7-8,10-15H,1H3
InChIKey IOKZQCULOCPXTB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 341.428 g/mol
Quality 88
Reported Formula C22H15ONS
SMILES C1=2SC=C(C2C=CC=C1)C1=C(C=NC=C1)C#CC1=CC=C(C=C1)OC
SPLASH splash10-0005-0059000000-9b3ffc40312cd2bab5d0
Source of Spectrum K1-2022-SM20-2u (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.3 (Heptane/EtOAc, 5:1)
Wiley ID 1899032