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3,5-Bis(phenylethynyl)4-(1H-pyrrol-1-yl)pyridine
SpectraBase Compound ID GqgmivjOd6s
InChI InChI=1S/C25H16N2/c1-3-9-21(10-4-1)13-15-23-19-26-20-24(25(23)27-17-7-8-18-27)16-14-22-11-5-2-6-12-22/h1-12,17-20H
InChIKey KGMIKNCTJLCRDM-UHFFFAOYSA-N
Mol Weight 344.42 g/mol
Molecular Formula C25H16N2
Exact Mass 344.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cjg5f3tgArT
Name 3,5-Bis(phenylethynyl)4-(1H-pyrrol-1-yl)pyridine
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 344.131348523 u
Formula C25H16N2
InChI InChI=1S/C25H16N2/c1-3-9-21(10-4-1)13-15-23-19-26-20-24(25(23)27-17-7-8-18-27)16-14-22-11-5-2-6-12-22/h1-12,17-20H
InChIKey KGMIKNCTJLCRDM-UHFFFAOYSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701347
Molecular Weight 344.417 g/mol
Quality 24
Reported Formula C25H16N2
SMILES C=1(C#CC2=CC=CC=C2)C=NC=C(C#CC2=CC=CC=C2)C1N1C=CC=C1
SPLASH splash10-0006-0109000000-f4df962f077d09e39c99
Source of Spectrum ACI-56-SM3-3a (DOI: 10.1002/anie.201701347)
Wiley ID 1895748