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1,2-Difluoro-3,4,5,6-tetrakis(4-tert-butylphenylethynyl)benzene
SpectraBase Compound ID BjIhOn3j0X3
InChI InChI=1S/C54H52F2/c1-51(2,3)41-25-13-37(14-26-41)21-33-45-46(34-22-38-15-27-42(28-16-38)52(4,5)6)48(36-24-40-19-31-44(32-20-40)54(10,11)12)50(56)49(55)47(45)35-23-39-17-29-43(30-18-39)53(7,8)9/h13-20,25-32H,1-12H3
InChIKey SHJOSJRDTLFCGP-UHFFFAOYSA-N
Mol Weight 739.0 g/mol
Molecular Formula C54H52F2
Exact Mass 738.403708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfQIGlhShVN
Name 1,2-Difluoro-3,4,5,6-tetrakis(4-tert-butylphenylethynyl)benzene
Alternate Name(s) 4,4',4'',4'''-((5,6-difluorobenzene-1,2,3,4-tetrayl)tetrakis(ethyne-2,1-diyl))tetrakis(tert-butylbenzene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H52F2
InChI InChI=1S/C54H52F2/c1-51(2,3)41-25-13-37(14-26-41)21-33-45-46(34-22-38-15-27-42(28-16-38)52(4,5)6)48(36-24-40-19-31-44(32-20-40)54(10,11)12)50(56)49(55)47(45)35-23-39-17-29-43(30-18-39)53(7,8)9/h13-20,25-32H,1-12H3
InChIKey SHJOSJRDTLFCGP-UHFFFAOYSA-N
Molecular Weight 739.007 g/mol
SMILES c1(c(c(C#Cc2ccc(C(C)(C)C)cc2)c(c(c1C#Cc1ccc(C(C)(C)C)cc1)F)F)C#Cc1ccc(C(C)(C)C)cc1)C#Cc1ccc(C(C)(C)C)cc1
SPLASH splash10-00ko-9301005500-798fad2ef2ceb2351f6a
Source of Spectrum F-69-179-2d
Wiley ID 1737339