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1-[(Pentafluorophenyl)ethynyl]-8-(phenylethynyl)-naphthalene
SpectraBase Compound ID FFUE13UFkJw
InChI InChI=1S/C26H11F5/c27-22-20(23(28)25(30)26(31)24(22)29)15-14-19-11-5-9-17-8-4-10-18(21(17)19)13-12-16-6-2-1-3-7-16/h1-11H
InChIKey MSHRCBOTBCQAQI-UHFFFAOYSA-N
Mol Weight 418.37 g/mol
Molecular Formula C26H11F5
Exact Mass 418.078091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gyvl508sLf1
Name 1-[(Pentafluorophenyl)ethynyl]-8-(phenylethynyl)-naphthalene
Comments Computed using HOSE algorithm
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Exact Mass 418.078091169 u
Formula C26H11F5
InChI InChI=1S/C26H11F5/c27-22-20(23(28)25(30)26(31)24(22)29)15-14-19-11-5-9-17-8-4-10-18(21(17)19)13-12-16-6-2-1-3-7-16/h1-11H
InChIKey MSHRCBOTBCQAQI-UHFFFAOYSA-N
Molecular Weight 418.366 g/mol
SMILES C=1(C#CC2=C3C(C#CC4=CC=CC=C4)=CC=CC3=CC=C2)C(=C(F)C(=C(C1F)F)F)F