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3-((4-Methoxyphenyl)ethynyl)-4-(thien-3-yl)pyridine
SpectraBase Compound ID CuZWkfBoEai
InChI InChI=1S/C18H13NOS/c1-20-17-6-3-14(4-7-17)2-5-15-12-19-10-8-18(15)16-9-11-21-13-16/h3-4,6-13H,1H3
InChIKey PFEYMQFTMKJFQX-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C18H13NOS
Exact Mass 291.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oXro7YMCG9
Name 3-((4-Methoxyphenyl)ethynyl)-4-(thien-3-yl)pyridine
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 291.071785216 u
Formula C18H13NOS
InChI InChI=1S/C18H13NOS/c1-20-17-6-3-14(4-7-17)2-5-15-12-19-10-8-18(15)16-9-11-21-13-16/h3-4,6-13H,1H3
InChIKey PFEYMQFTMKJFQX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Quality 187
Reported Formula C18H13ONS
SMILES COC1=CC=C(C=C1)C#CC=1C=NC=CC1C1=CSC=C1
SPLASH splash10-0007-0090000000-171489300a2bde9cf942
Source of Spectrum K1-2022-SM11-2f (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.18 (Heptane/EtOAc, 5:1)
Wiley ID 1899017