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3,5-Dichloro-2,6-bis((4-fluorophenyl)ethynyl)-4-(4-methoxyphenyl) pyridine
SpectraBase Compound ID BLRDY9Vdlk0
InChI InChI=1S/C28H15Cl2F2NO/c1-34-23-14-8-20(9-15-23)26-27(29)24(16-6-18-2-10-21(31)11-3-18)33-25(28(26)30)17-7-19-4-12-22(32)13-5-19/h2-5,8-15H,1H3
InChIKey XSIQXWKRWMATTL-UHFFFAOYSA-N
Mol Weight 490.34 g/mol
Molecular Formula C28H15Cl2F2NO
Exact Mass 489.049876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XL9UuSdU7L
Name 3,5-Dichloro-2,6-bis((4-fluorophenyl)ethynyl)-4-(4-methoxyphenyl) pyridine
Alternate Name(s) 3,5-Dichloro-2,6-bis((4-fluorophenyl)ethynyl)-4-(4-methoxyphenyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H15Cl2F2NO
InChI InChI=1S/C28H15Cl2F2NO/c1-34-23-14-8-20(9-15-23)26-27(29)24(16-6-18-2-10-21(31)11-3-18)33-25(28(26)30)17-7-19-4-12-22(32)13-5-19/h2-5,8-15H,1H3
InChIKey XSIQXWKRWMATTL-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob01292e
Molecular Weight 490.337 g/mol
SMILES c1(c(-c2ccc(OC)cc2)c(c(C#Cc2ccc(cc2)F)nc1C#Cc1ccc(cc1)F)Cl)Cl
SPLASH splash10-000f-0000900000-bc1ca568308d56199013
Source of Spectrum F5-12-8635-6b
Wiley ID 1748280