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Benzene, 1,4-bis[2-[4-[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]p henyl]ethenyl]-, (all-E)-
SpectraBase Compound ID JdDFTbnIpdo
InChI InChI=1S/C54H62/c1-51(2,3)47-33-45(34-48(37-47)52(4,5)6)31-29-43-25-21-41(22-26-43)19-17-39-13-15-40(16-14-39)18-20-42-23-27-44(28-24-42)30-32-46-35-49(53(7,8)9)38-50(36-46)54(10,11)12/h13-38H,1-12H3/b19-17+,20-18+,31-29+,32-30+
InChIKey MPGDDGPNMKPKPG-SLZWXQIZSA-N
Mol Weight 711.1 g/mol
Molecular Formula C54H62
Exact Mass 710.485152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ceWNSySuFc
Name Benzene, 1,4-bis[2-[4-[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]p henyl]ethenyl]-, (all-E)-
CAS Registry Number 132841-97-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H62
InChI InChI=1S/C54H62/c1-51(2,3)47-33-45(34-48(37-47)52(4,5)6)31-29-43-25-21-41(22-26-43)19-17-39-13-15-40(16-14-39)18-20-42-23-27-44(28-24-42)30-32-46-35-49(53(7,8)9)38-50(36-46)54(10,11)12/h13-38H,1-12H3/b19-17+,20-18+,31-29+,32-30+
InChIKey MPGDDGPNMKPKPG-SLZWXQIZSA-N
Molecular Weight 711.090 g/mol
SMILES c1(cc(C(C)(C)C)cc(\C=C\c2ccc(\C=C\c3ccc(\C=C\c4ccc(\C=C\c5cc(C(C)(C)C)cc(c5)C(C)(C)C)cc4)cc3)cc2)c1)C(C)(C)C
SPLASH splash10-03di-1000000900-a8ea2ee6e7c517e72644
Source of Spectrum C-113-2645-2
Synonyms 1,3-ditert-butyl-5-[(E)-2-(4-{(E)-2-[4-((E)-2-{4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl}ethenyl)phenyl]ethenyl}phenyl)ethenyl]benzene 1,4-bis[4-(3,5-di-tert-butylstyryl)styryl]benzene
Wiley ID 1415375