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4-(4-Methoxyphenyl)-2,3,5,6-tetrakis((4-tert-butylphenyl)ethynyl)-pyridine
SpectraBase Compound ID 7ZLjdSw1NGJ
InChI InChI=1S/C60H59NO/c1-57(2,3)47-28-14-42(15-29-47)22-38-52-54(40-24-44-18-32-49(33-19-44)59(7,8)9)61-55(41-25-45-20-34-50(35-21-45)60(10,11)12)53(56(52)46-26-36-51(62-13)37-27-46)39-23-43-16-30-48(31-17-43)58(4,5)6/h14-21,26-37H,1-13H3
InChIKey YZXPFPJAKKPEOV-UHFFFAOYSA-N
Mol Weight 810.1 g/mol
Molecular Formula C60H59NO
Exact Mass 809.459666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmUSsNOjhmK
Name 4-(4-Methoxyphenyl)-2,3,5,6-tetrakis((4-tert-butylphenyl)ethynyl)-pyridine
Alternate Name(s) 2,3,5,6-tetrakis((4-(tert-butyl)phenyl)ethynyl)-4-(4-methoxyphenyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H59NO
InChI InChI=1S/C60H59NO/c1-57(2,3)47-28-14-42(15-29-47)22-38-52-54(40-24-44-18-32-49(33-19-44)59(7,8)9)61-55(41-25-45-20-34-50(35-21-45)60(10,11)12)53(56(52)46-26-36-51(62-13)37-27-46)39-23-43-16-30-48(31-17-43)58(4,5)6/h14-21,26-37H,1-13H3
InChIKey YZXPFPJAKKPEOV-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob01292e
Molecular Weight 810.138 g/mol
SMILES c1(C#Cc2ccc(cc2)C(C)(C)C)c(-c2ccc(cc2)OC)c(c(nc1C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C)C#Cc1ccc(cc1)C(C)(C)C
SPLASH splash10-0bt9-0000000090-f74b268efc0d263dfa71
Source of Spectrum F5-12-8636-10d
Wiley ID 1748269