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Benzene, 1-(1-bromo-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl)-4-(1,1-dimethylethyl)-
SpectraBase Compound ID DeLjGzo9Jdg
InChI InChI=1S/C39H33Br/c1-38(2,3)32-24-26-33(27-25-32)39(40)36(30-20-12-6-13-21-30)34(28-16-8-4-9-17-28)35(29-18-10-5-11-19-29)37(39)31-22-14-7-15-23-31/h4-27H,1-3H3
InChIKey RYZIBXCYOPBLKX-UHFFFAOYSA-N
Mol Weight 581.6 g/mol
Molecular Formula C39H33Br
Exact Mass 580.176564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRZJxuyp0dA
Name Benzene, 1-(1-bromo-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl)-4-(1,1-dimethylethyl)-
Alternate Name(s) 1-(1-bromo-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl)-4-tert-butylbenzene 1-Bromo(p-butylphenyl)-2,3,4,4-tetraphenylcyclopenta-2,4-diene 1-Bromo-1-(4-t-butylphenyl)-2,3,4,5-tetraphenylcyclopenta-2,4-diene
CAS Registry Number 110486-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H33Br
InChI InChI=1S/C39H33Br/c1-38(2,3)32-24-26-33(27-25-32)39(40)36(30-20-12-6-13-21-30)34(28-16-8-4-9-17-28)35(29-18-10-5-11-19-29)37(39)31-22-14-7-15-23-31/h4-27H,1-3H3
InChIKey RYZIBXCYOPBLKX-UHFFFAOYSA-N
Molecular Weight 581.597 g/mol
SMILES C1(C(=C(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)(c1ccc(C(C)(C)C)cc1)Br
SPLASH splash10-0udl-5012290000-8b94f43c14715d6468d0
Source of Spectrum B-43-288-2
Wiley ID 1408544