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3-(Phenylethynyl)pyridine
SpectraBase Compound ID I0v0iMjk3Jb
InChI InChI=1S/C13H9N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-7,10-11H
InChIKey ZLYFXWKSLUXFMU-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C13H9N
Exact Mass 179.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ls9dJ776Z1
Name 3-(phenylethynyl)pyridine
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 179.073499294 u
Formula C13H9N
InChI InChI=1S/C13H9N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-7,10-11H
InChIKey ZLYFXWKSLUXFMU-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 179.222 g/mol
Quality 172
SMILES C1=CC(C#CC2=CC=CN=C2)=CC=C1
SPLASH splash10-004i-0900000000-4e264c19e1c1b554eaa3
Source of Spectrum K1-2022-SM70-Table 5, entry 2 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898479