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1-Fluoro-2,3,4,5,6-pentakis(4-methylphenylethynyl)-benzene

View entire compound with spectra: 1 MS (GC)

1-Fluoro-2,3,4,5,6-pentakis(4-methylphenylethynyl)-benzene
SpectraBase Compound ID JRlNIfND4aw
InChI InChI=1S/C51H35F/c1-36-6-16-41(17-7-36)26-31-46-47(32-27-42-18-8-37(2)9-19-42)49(34-29-44-22-12-39(4)13-23-44)51(52)50(35-30-45-24-14-40(5)15-25-45)48(46)33-28-43-20-10-38(3)11-21-43/h6-25H,1-5H3
InChIKey LTAUAPQKFXNADF-UHFFFAOYSA-N
Mol Weight 666.8 g/mol
Molecular Formula C51H35F
Exact Mass 666.272279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LiWB0zMDOc
Name 1-Fluoro-2,3,4,5,6-pentakis(4-methylphenylethynyl)-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H35F
InChI InChI=1S/C51H35F/c1-36-6-16-41(17-7-36)26-31-46-47(32-27-42-18-8-37(2)9-19-42)49(34-29-44-22-12-39(4)13-23-44)51(52)50(35-30-45-24-14-40(5)15-25-45)48(46)33-28-43-20-10-38(3)11-21-43/h6-25H,1-5H3
InChIKey LTAUAPQKFXNADF-UHFFFAOYSA-N
Molecular Weight 666.839 g/mol
SMILES c1(c(c(C#Cc2ccc(cc2)C)c(c(c1C#Cc1ccc(cc1)C)F)C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C
SPLASH splash10-0005-5119003000-2b341a9b63b7e4bcd9f9
Source of Spectrum F-69-181-8b
Synonyms 4,4',4'',4''',4''''-((6-fluorobenzene-1,2,3,4,5-pentayl)pentakis(ethyne-2,1-diyl))pentakis(methylbenzene)
Wiley ID 1737331