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2-[2-[3,5-bis[2-(4-tert-butyl-2,6-diethynyl-phenyl)ethynyl]phenyl]ethynyl]-5-tert-butyl-1,3-diethynyl-benzene
SpectraBase Compound ID 5HMnc5EYoa4
InChI InChI=1S/C54H42/c1-16-40-31-46(52(7,8)9)32-41(17-2)49(40)25-22-37-28-38(23-26-50-42(18-3)33-47(53(10,11)12)34-43(50)19-4)30-39(29-37)24-27-51-44(20-5)35-48(54(13,14)15)36-45(51)21-6/h1-6,28-36H,7-15H3
InChIKey FTNOGAMZVGLNHS-UHFFFAOYSA-N
Mol Weight 690.9 g/mol
Molecular Formula C54H42
Exact Mass 690.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VdPeZxUzfF
Name 2-[2-[3,5-bis[2-(4-tert-butyl-2,6-diethynyl-phenyl)ethynyl]phenyl]ethynyl]-5-tert-butyl-1,3-diethynyl-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H42
InChI InChI=1S/C54H42/c1-16-40-31-46(52(7,8)9)32-41(17-2)49(40)25-22-37-28-38(23-26-50-42(18-3)33-47(53(10,11)12)34-43(50)19-4)30-39(29-37)24-27-51-44(20-5)35-48(54(13,14)15)36-45(51)21-6/h1-6,28-36H,7-15H3
InChIKey FTNOGAMZVGLNHS-UHFFFAOYSA-N
Molecular Weight 690.930 g/mol
SMILES C(c1c(C#C)cc(cc1C#C)C(C)(C)C)#Cc1cc(C#Cc2c(C#C)cc(cc2C#C)C(C)(C)C)cc(C#Cc2c(C#C)cc(cc2C#C)C(C)(C)C)c1
SPLASH splash10-0ab9-9100001000-1e0ede000e81e566076f
Source of Spectrum H-2005-2745-7
Wiley ID 1563015