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2,2'-Bis(tert-butylcarbonyloxy)-3,3',5,5'-tetra(2-phenylethynyl)biphenyl
SpectraBase Compound ID EUnXHkj46n6
InChI InChI=1S/C54H42O4/c1-53(2,3)51(55)57-49-45(33-31-41-23-15-9-16-24-41)35-43(29-27-39-19-11-7-12-20-39)37-47(49)48-38-44(30-28-40-21-13-8-14-22-40)36-46(34-32-42-25-17-10-18-26-42)50(48)58-52(56)54(4,5)6/h7-26,35-38H,1-6H3
InChIKey PTTALUJQIZSBHB-UHFFFAOYSA-N
Mol Weight 754.9 g/mol
Molecular Formula C54H42O4
Exact Mass 754.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoplbADfKU9
Name 2,2'-Bis(tert-butylcarbonyloxy)-3,3',5,5'-tetra(2-phenylethynyl)biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H42O4
InChI InChI=1S/C54H42O4/c1-53(2,3)51(55)57-49-45(33-31-41-23-15-9-16-24-41)35-43(29-27-39-19-11-7-12-20-39)37-47(49)48-38-44(30-28-40-21-13-8-14-22-40)36-46(34-32-42-25-17-10-18-26-42)50(48)58-52(56)54(4,5)6/h7-26,35-38H,1-6H3
InChIKey PTTALUJQIZSBHB-UHFFFAOYSA-N
Molecular Weight 754.926 g/mol
SMILES c1(-c2c(OC(C(C)(C)C)=O)c(C#Cc3ccccc3)cc(C#Cc3ccccc3)c2)c(OC(C(C)(C)C)=O)c(C#Cc2ccccc2)cc(C#Cc2ccccc2)c1
SPLASH splash10-0a4r-9000052100-d7880f71310f60948477
Source of Spectrum AT-38-5350-15
Synonyms 2'-[(2,2-dimethylpropanoyl)oxy]-3,3',5,5'-tetrakis(phenylethynyl)[1,1'-biphenyl]-2-yl pivalate
Wiley ID 853935