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1-[3-bromanyl-5-(4-methylphenyl)-2,3,4-triphenyl-cyclopenta-1,4-dien-1-yl]-4-methyl-benzene
SpectraBase Compound ID DxHA1B04B47
InChI InChI=1S/C37H29Br/c1-26-18-22-28(23-19-26)33-34(29-24-20-27(2)21-25-29)36(31-14-8-4-9-15-31)37(38,32-16-10-5-11-17-32)35(33)30-12-6-3-7-13-30/h3-25H,1-2H3
InChIKey AHVFYSXLAHRWAR-UHFFFAOYSA-N
Mol Weight 553.5 g/mol
Molecular Formula C37H29Br
Exact Mass 552.145264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8O7fvt4sGEs
Name 1-[3-bromanyl-5-(4-methylphenyl)-2,3,4-triphenyl-cyclopenta-1,4-dien-1-yl]-4-methyl-benzene
CAS Registry Number 19057-28-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H29Br
InChI InChI=1S/C37H29Br/c1-26-18-22-28(23-19-26)33-34(29-24-20-27(2)21-25-29)36(31-14-8-4-9-15-31)37(38,32-16-10-5-11-17-32)35(33)30-12-6-3-7-13-30/h3-25H,1-2H3
InChIKey AHVFYSXLAHRWAR-UHFFFAOYSA-N
Molecular Weight 553.543 g/mol
SMILES C1(C(=C(c2ccc(cc2)C)C(=C1c1ccccc1)c1ccc(cc1)C)c1ccccc1)(c1ccccc1)Br
SPLASH splash10-00di-2100900000-b0322b162f3fbdbaa972
Source of Spectrum B-43-290-6
Synonyms 1-[3-bromo-2,3,4-triphenyl-5-(p-tolyl)cyclopenta-1,4-dien-1-yl]-4-methyl-benzene 1-[3-bromo-5-(4-methylphenyl)-2,3,4-triphenyl-1-cyclopenta-1,4-dienyl]-4-methylbenzene 1-[3-bromo-5-(4-methylphenyl)-2,3,4-triphenylcyclopenta-1,4-dien-1-yl]-4-methylbenzene
Wiley ID 1406032