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2,5-Cyclohexadien-1-one, 4-(4-bromophenyl)-4-[[5'-(4-bromophenyl)-4,4''-bis(1,1-dimethylethyl) [1,1':3',1''-terphenyl]-2'-yl]oxy]-2,6-bis[4-(1,1-dimethylethyl)phenyl]-
SpectraBase Compound ID EHe3LP7m6IZ
InChI InChI=1S/C64H64Br2O2/c1-60(2,3)47-23-13-42(14-24-47)54-37-46(41-21-33-52(65)34-22-41)38-55(43-15-25-48(26-16-43)61(4,5)6)59(54)68-64(51-31-35-53(66)36-32-51)39-56(44-17-27-49(28-18-44)62(7,8)9)58(67)57(40-64)45-19-29-50(30-20-45)63(10,11)12/h13-40H,1-12H3
InChIKey TXLJKFOUIRYNMD-UHFFFAOYSA-N
Mol Weight 1025.0 g/mol
Molecular Formula C64H64Br2O2
Exact Mass 1022.327307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAUc5rVt3jb
Name 2,5-Cyclohexadien-1-one, 4-(4-bromophenyl)-4-[[5'-(4-bromophenyl)-4,4''-bis(1,1-dimethylethyl) [1,1':3',1''-terphenyl]-2'-yl]oxy]-2,6-bis[4-(1,1-dimethylethyl)phenyl]-
CAS Registry Number 65620-27-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H64Br2O2
InChI InChI=1S/C64H64Br2O2/c1-60(2,3)47-23-13-42(14-24-47)54-37-46(41-21-33-52(65)34-22-41)38-55(43-15-25-48(26-16-43)61(4,5)6)59(54)68-64(51-31-35-53(66)36-32-51)39-56(44-17-27-49(28-18-44)62(7,8)9)58(67)57(40-64)45-19-29-50(30-20-45)63(10,11)12/h13-40H,1-12H3
InChIKey TXLJKFOUIRYNMD-UHFFFAOYSA-N
Molecular Weight 1025.022 g/mol
SMILES C1(C=C(c2ccc(C(C)(C)C)cc2)C(C(=C1)c1ccc(C(C)(C)C)cc1)=O)(Oc1c(cc(cc1-c1ccc(C(C)(C)C)cc1)-c1ccc(cc1)Br)-c1ccc(C(C)(C)C)cc1)c1ccc(cc1)Br
SPLASH splash10-03di-0000090000-8c8659b11bae8e1b1319
Source of Spectrum K-111-270-0
Synonyms 2,5-Cyclohexadien-1-one, 4-(4-bromophenyl)-4-[[5'-(4-bromophenyl)-4,4''-bis(1,1-dimethylethyl)[1,1':3',1''-terphenyl]-2'-yl]oxy]-2,6-bis[4-(1,1-dimethylethyl)phenyl]- 4-(4-Bromophenyl)-4-[4-(4-bromophenyl)-2,6-bis(4-tert-butylphenyl)phenoxy]-2,6-bis(4-tert-butylphenyl)-2,5-cyclohexadien-1-one 4-(4-bromophenyl)-4-[4-(4-bromophenyl)-2,6-bis(4-tert-butylphenyl)phenoxy]-2,6-bis(4-tert-butylphenyl)cyclohexa-2,5-dien-1-one
Wiley ID 1418447