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3,5-Dichloro-2,6-bis(phenylethynyl)-4-(4-methoxyphenyl)pyridine
SpectraBase Compound ID EVeeUSX68Df
InChI InChI=1S/C28H17Cl2NO/c1-32-23-16-14-22(15-17-23)26-27(29)24(18-12-20-8-4-2-5-9-20)31-25(28(26)30)19-13-21-10-6-3-7-11-21/h2-11,14-17H,1H3
InChIKey GUQHZXPHKLAEEQ-UHFFFAOYSA-N
Mol Weight 454.36 g/mol
Molecular Formula C28H17Cl2NO
Exact Mass 453.06872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUa0wSGlCqy
Name 3,5-Dichloro-2,6-bis(phenylethynyl)-4-(4-methoxyphenyl)pyridine
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Formula C28H17Cl2NO
InChI InChI=1S/C28H17Cl2NO/c1-32-23-16-14-22(15-17-23)26-27(29)24(18-12-20-8-4-2-5-9-20)31-25(28(26)30)19-13-21-10-6-3-7-11-21/h2-11,14-17H,1H3
InChIKey GUQHZXPHKLAEEQ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob01292e
Molecular Weight 454.356 g/mol
SMILES c1(Cl)c(-c2ccc(OC)cc2)c(c(C#Cc2ccccc2)nc1C#Cc1ccccc1)Cl
SPLASH splash10-0zfr-0000900000-adeae201d03e45c0202c
Source of Spectrum F5-12-8634-6a
Synonyms 3,5-Dichloro-4-(4-methoxyphenyl)-2,6-bis(phenylethynyl)pyridine
Wiley ID 1748279