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3,5-Bis((4-methoxyphenyl)ethynyl)-4-(1H-pyrrol-1-yl)pyridine
SpectraBase Compound ID 11zfiJu1qt3
InChI InChI=1S/C27H20N2O2/c1-30-25-13-7-21(8-14-25)5-11-23-19-28-20-24(27(23)29-17-3-4-18-29)12-6-22-9-15-26(31-2)16-10-22/h3-4,7-10,13-20H,1-2H3
InChIKey AZMNHBQFWDVSKU-UHFFFAOYSA-N
Mol Weight 404.47 g/mol
Molecular Formula C27H20N2O2
Exact Mass 404.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xpjKKr4wY0
Name 3,5-Bis((4-methoxyphenyl)ethynyl)-4-(1H-pyrrol-1-yl)pyridine
Appearance Yellow solid
Carrier Gas Helium
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Formula C27H20N2O2
InChI InChI=1S/C27H20N2O2/c1-30-25-13-7-21(8-14-25)5-11-23-19-28-20-24(27(23)29-17-3-4-18-29)12-6-22-9-15-26(31-2)16-10-22/h3-4,7-10,13-20H,1-2H3
InChIKey AZMNHBQFWDVSKU-UHFFFAOYSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701347
Molecular Weight 404.469 g/mol
Quality 43
Reported Formula C27H20O2N2
SMILES C=1(C#CC2=CC=C(C=C2)OC)C=NC=C(C#CC2=CC=C(C=C2)OC)C1N1C=CC=C1
SPLASH splash10-0udi-0009800000-e1706000084a22b90aba
Source of Spectrum ACI-56-SM4-3c (DOI: 10.1002/anie.201701347)
Wiley ID 1895750