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1,4-Bis(4-fluorophenyl)-1,4-diphenylbut-2-yne-1,4-diol
SpectraBase Compound ID HdACPUJKX2G
InChI InChI=1S/C28H20F2O2/c29-25-15-11-23(12-16-25)27(31,21-7-3-1-4-8-21)19-20-28(32,22-9-5-2-6-10-22)24-13-17-26(30)18-14-24/h1-18,31-32H
InChIKey MGXQHCYCWSWNQE-UHFFFAOYSA-N
Mol Weight 426.46 g/mol
Molecular Formula C28H20F2O2
Exact Mass 426.143136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zucTscbce
Name 1,4-Bis(4-fluorophenyl)-1,4-diphenylbut-2-yne-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20F2O2
InChI InChI=1S/C28H20F2O2/c29-25-15-11-23(12-16-25)27(31,21-7-3-1-4-8-21)19-20-28(32,22-9-5-2-6-10-22)24-13-17-26(30)18-14-24/h1-18,31-32H
InChIKey MGXQHCYCWSWNQE-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ7000
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201905670
Molecular Weight 426.463 g/mol
Reported Formula C28H20F2O2
SMILES OC(C#CC(c1ccc(cc1)F)(c1ccccc1)O)(c1ccccc1)c1ccc(cc1)F
SPLASH splash10-05fr-1912000000-2c3a79e1bb9353bae551
Source of Spectrum ACI-58-SM15-2i
Wiley ID 1875495