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3-Phenylethynyl-4-(thien-3-yl)pyridine
SpectraBase Compound ID Isd7DMQQbtq
InChI InChI=1S/C17H11NS/c1-2-4-14(5-3-1)6-7-15-12-18-10-8-17(15)16-9-11-19-13-16/h1-5,8-13H
InChIKey CIVOXTOLNQRHCX-UHFFFAOYSA-N
Mol Weight 261.34 g/mol
Molecular Formula C17H11NS
Exact Mass 261.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfcPD9CVvbE
Name 3-Phenylethynyl-4-(thien-3-yl)pyridine
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 261.061220532 u
Formula C17H11NS
InChI InChI=1S/C17H11NS/c1-2-4-14(5-3-1)6-7-15-12-18-10-8-17(15)16-9-11-19-13-16/h1-5,8-13H
InChIKey CIVOXTOLNQRHCX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 261.342 g/mol
Quality 226
Reported Formula C17H11NS
SMILES C1(=CC=CC=C1)C#CC=1C=NC=CC1C1=CSC=C1
SPLASH splash10-03di-3090000000-726c6395dec75ef849cd
Source of Spectrum K1-2022-6-2a (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.20 (Heptane/EtOAc, 5:1)
Wiley ID 1899010