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1,4-Difluoro-2,3,5,6-tetra(4-n-pentylphenylethynyl)-benzene
SpectraBase Compound ID LFVQv2GN3jY
InChI InChI=1S/C58H60F2/c1-5-9-13-17-45-21-29-49(30-22-45)37-41-53-54(42-38-50-31-23-46(24-32-50)18-14-10-6-2)58(60)56(44-40-52-35-27-48(28-36-52)20-16-12-8-4)55(57(53)59)43-39-51-33-25-47(26-34-51)19-15-11-7-3/h21-36H,5-20H2,1-4H3
InChIKey XSBTVPKGMYFBSV-UHFFFAOYSA-N
Mol Weight 795.1 g/mol
Molecular Formula C58H60F2
Exact Mass 794.466308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPBWo5kushj
Name 1,4-Difluoro-2,3,5,6-tetra(4-n-pentylphenylethynyl)-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H60F2
InChI InChI=1S/C58H60F2/c1-5-9-13-17-45-21-29-49(30-22-45)37-41-53-54(42-38-50-31-23-46(24-32-50)18-14-10-6-2)58(60)56(44-40-52-35-27-48(28-36-52)20-16-12-8-4)55(57(53)59)43-39-51-33-25-47(26-34-51)19-15-11-7-3/h21-36H,5-20H2,1-4H3
InChIKey XSBTVPKGMYFBSV-UHFFFAOYSA-N
Molecular Weight 795.115 g/mol
SMILES c1(c(C#Cc2ccc(cc2)CCCCC)c(F)c(c(c1F)C#Cc1ccc(cc1)CCCCC)C#Cc1ccc(cc1)CCCCC)C#Cc1ccc(cc1)CCCCC
SPLASH splash10-0007-2000001900-d24953c96bff2b3e9c5c
Source of Spectrum F-69-180-6c
Synonyms 4,4',4'',4'''-((3,6-difluorobenzene-1,2,4,5-tetrayl)tetrakis(ethyne-2,1-diyl))tetrakis(pentylbenzene)
Wiley ID 1737333