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4-(4-(Trifluoromethyl)phenyl)-2,3,5,6-tetrakis((4-(tert-butyl)-phenyl)ethynyl)pyridine
SpectraBase Compound ID 15wqUJicLWb
InChI InChI=1S/C60H56F3N/c1-56(2,3)46-27-13-41(14-28-46)21-37-51-53(39-23-43-17-31-48(32-18-43)58(7,8)9)64-54(40-24-44-19-33-49(34-20-44)59(10,11)12)52(38-22-42-15-29-47(30-16-42)57(4,5)6)55(51)45-25-35-50(36-26-45)60(61,62)63/h13-20,25-36H,1-12H3
InChIKey RGNYZRYSVXGHEX-UHFFFAOYSA-N
Mol Weight 848.1 g/mol
Molecular Formula C60H56F3N
Exact Mass 847.436485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28Hm0JNfktC
Name 4-(4-(Trifluoromethyl)phenyl)-2,3,5,6-tetrakis((4-(tert-butyl)-phenyl)ethynyl)pyridine
Alternate Name(s) 2,3,5,6-tetrakis((4-(tert-butyl)phenyl)ethynyl)-4-(4-(trifluoromethyl)phenyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H56F3N
InChI InChI=1S/C60H56F3N/c1-56(2,3)46-27-13-41(14-28-46)21-37-51-53(39-23-43-17-31-48(32-18-43)58(7,8)9)64-54(40-24-44-19-33-49(34-20-44)59(10,11)12)52(38-22-42-15-29-47(30-16-42)57(4,5)6)55(51)45-25-35-50(36-26-45)60(61,62)63/h13-20,25-36H,1-12H3
InChIKey RGNYZRYSVXGHEX-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob01292e
Molecular Weight 848.110 g/mol
SMILES c1(C#Cc2ccc(C(C)(C)C)cc2)c(-c2ccc(cc2)C(F)(F)F)c(c(nc1C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C
SPLASH splash10-0002-0000000090-03ecf55a3977ccf16a1d
Source of Spectrum F5-12-8637-11d
Wiley ID 1748274