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2,3,5,6-Tetrakis((4-tert-butylphenyl)ethynyl)pyridine
SpectraBase Compound ID Hgxo7yduUdx
InChI InChI=1S/C53H53N/c1-50(2,3)44-27-15-38(16-28-44)13-25-42-37-43(26-14-39-17-29-45(30-18-39)51(4,5)6)49(36-24-41-21-33-47(34-22-41)53(10,11)12)54-48(42)35-23-40-19-31-46(32-20-40)52(7,8)9/h15-22,27-34,37H,1-12H3
InChIKey PBTUWLPPKXRJHK-UHFFFAOYSA-N
Mol Weight 704.0 g/mol
Molecular Formula C53H53N
Exact Mass 703.417801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44CXprYJ87T
Name 2,3,5,6-Tetrakis((4-tert-butylphenyl)ethynyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H53N
InChI InChI=1S/C53H53N/c1-50(2,3)44-27-15-38(16-28-44)13-25-42-37-43(26-14-39-17-29-45(30-18-39)51(4,5)6)49(36-24-41-21-33-47(34-22-41)53(10,11)12)54-48(42)35-23-40-19-31-46(32-20-40)52(7,8)9/h15-22,27-34,37H,1-12H3
InChIKey PBTUWLPPKXRJHK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300201
Molecular Weight 704.014 g/mol
SMILES c1(c(cc(c(n1)C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C
SPLASH splash10-0udi-0000001900-c3612632272faa058a9b
Source of Spectrum ASC-355-1855-2c
Synonyms 2,3,5,6-tetrakis((4-(tert-butyl)phenyl)ethynyl)pyridine
Wiley ID 1762110