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Benzene, 1,1'-(1,2-diphenyl-1,2-ethenediyl)bis[4-[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-, (E,E,E)-
SpectraBase Compound ID 7SPE3alsF3n
InChI InChI=1S/C58H64/c1-55(2,3)49-35-43(36-50(39-49)56(4,5)6)25-23-41-27-31-47(32-28-41)53(45-19-15-13-16-20-45)54(46-21-17-14-18-22-46)48-33-29-42(30-34-48)24-26-44-37-51(57(7,8)9)40-52(38-44)58(10,11)12/h13-40H,1-12H3/b25-23+,26-24+,54-53+
InChIKey KEHYQEUQZYTFKO-CWKYHRJBSA-N
Mol Weight 761.1 g/mol
Molecular Formula C58H64
Exact Mass 760.500802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVE1D95VwBJ
Name Benzene, 1,1'-(1,2-diphenyl-1,2-ethenediyl)bis[4-[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-, (E,E,E)-
CAS Registry Number 133348-59-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H64
InChI InChI=1S/C58H64/c1-55(2,3)49-35-43(36-50(39-49)56(4,5)6)25-23-41-27-31-47(32-28-41)53(45-19-15-13-16-20-45)54(46-21-17-14-18-22-46)48-33-29-42(30-34-48)24-26-44-37-51(57(7,8)9)40-52(38-44)58(10,11)12/h13-40H,1-12H3/b25-23+,26-24+,54-53+
InChIKey KEHYQEUQZYTFKO-CWKYHRJBSA-N
Molecular Weight 761.150 g/mol
SMILES c1(\C(=C\(c2ccc(\C=C\c3cc(C(C)(C)C)cc(c3)C(C)(C)C)cc2)c2ccccc2)c2ccccc2)ccc(\C=C\c2cc(C(C)(C)C)cc(c2)C(C)(C)C)cc1
SPLASH splash10-0bt9-9000000500-c4c5bb210b2688a2ee57
Source of Spectrum C-113-2646-5
Synonyms 1,3-ditert-butyl-5-{(E)-2-[4-((E)-2-{4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl}-1,2-diphenylethenyl)phenyl]ethenyl}benzene 4,4'-bis(3,5-di-tert-butylsyryl)-.alpha.,.alpha.'-Diphenylstilbene
Wiley ID 1416524