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2,4,5,6-Tetrakis[(4-tert-butylphenyl)ethynyl]pyrimidine
SpectraBase Compound ID B0WJUxDsoIL
InChI InChI=1S/C52H52N2/c1-49(2,3)41-25-13-37(14-26-41)21-33-45-46(34-22-38-15-27-42(28-16-38)50(4,5)6)53-48(36-24-40-19-31-44(32-20-40)52(10,11)12)54-47(45)35-23-39-17-29-43(30-18-39)51(7,8)9/h13-20,25-32H,1-12H3
InChIKey CZNISUZSWYVIHH-UHFFFAOYSA-N
Mol Weight 705.0 g/mol
Molecular Formula C52H52N2
Exact Mass 704.41305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sF9lfZcJDP
Name 2,4,5,6-Tetrakis[(4-tert-butylphenyl)ethynyl]pyrimidine
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Formula C52H52N2
InChI InChI=1S/C52H52N2/c1-49(2,3)41-25-13-37(14-26-41)21-33-45-46(34-22-38-15-27-42(28-16-38)50(4,5)6)53-48(36-24-40-19-31-44(32-20-40)52(10,11)12)54-47(45)35-23-39-17-29-43(30-18-39)51(7,8)9/h13-20,25-32H,1-12H3
InChIKey CZNISUZSWYVIHH-UHFFFAOYSA-N
Molecular Weight 705.002 g/mol
SMILES C(c1c(C#Cc2ccc(C(C)(C)C)cc2)nc(nc1C#Cc1ccc(C(C)(C)C)cc1)C#Cc1ccc(C(C)(C)C)cc1)#Cc1ccc(C(C)(C)C)cc1
SPLASH splash10-0zfr-0100000900-0c331af81f2ebd4d6362
Source of Spectrum U1-2011-2092-5a
Wiley ID 1665557