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3,5-Dichloro-2,6-bis((4-fluorophenyl)ethynyl)-4-(4-(trifluoromethyl) phenyl)pyridine
SpectraBase Compound ID dRC5qzBU7V
InChI InChI=1S/C28H12Cl2F5N/c29-26-23(15-5-17-1-11-21(31)12-2-17)36-24(16-6-18-3-13-22(32)14-4-18)27(30)25(26)19-7-9-20(10-8-19)28(33,34)35/h1-4,7-14H
InChIKey JHAUWSCYWLYIIC-UHFFFAOYSA-N
Mol Weight 528.31 g/mol
Molecular Formula C28H12Cl2F5N
Exact Mass 527.026696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Atywn67Z6wG
Name 3,5-Dichloro-2,6-bis((4-fluorophenyl)ethynyl)-4-(4-(trifluoromethyl) phenyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H12Cl2F5N
InChI InChI=1S/C28H12Cl2F5N/c29-26-23(15-5-17-1-11-21(31)12-2-17)36-24(16-6-18-3-13-22(32)14-4-18)27(30)25(26)19-7-9-20(10-8-19)28(33,34)35/h1-4,7-14H
InChIKey JHAUWSCYWLYIIC-UHFFFAOYSA-N
Molecular Weight 528.309 g/mol
SMILES c1(c(c(c(C#Cc2ccc(cc2)F)nc1C#Cc1ccc(cc1)F)Cl)-c1ccc(cc1)C(F)(F)F)Cl
SPLASH splash10-004i-0001090000-51a31f9bf79fcf25d851
Source of Spectrum F5-12-8635-8b
Synonyms 3,5-Dichloro-2,6-bis((4-fluorophenyl)ethynyl)-4-(4-(trifluoromethyl)phenyl)pyridine
Wiley ID 1748282