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1-[2-(4-Tert-butylphenyl)ethynyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene
SpectraBase Compound ID 4lIOaHyjvY9
InChI InChI=1S/C27H23F/c1-20-5-7-21(8-6-20)9-10-23-12-16-24(26(28)19-23)15-11-22-13-17-25(18-14-22)27(2,3)4/h5-8,12-14,16-19H,1-4H3
InChIKey BDBHEQLXHIKOMF-UHFFFAOYSA-N
Mol Weight 366.48 g/mol
Molecular Formula C27H23F
Exact Mass 366.178379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DR2JzNLJDIf
Name 1-[2-(4-Tert-butylphenyl)ethynyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 366.178378904 u
Formula C27H23F
InChI InChI=1S/C27H23F/c1-20-5-7-21(8-6-20)9-10-23-12-16-24(26(28)19-23)15-11-22-13-17-25(18-14-22)27(2,3)4/h5-8,12-14,16-19H,1-4H3
InChIKey BDBHEQLXHIKOMF-UHFFFAOYSA-N
Molecular Weight 366.479 g/mol
SMILES C(#CC=1C=CC(C(C)(C)C)=CC1)C1=C(C=C(C#CC=2C=CC(=CC2)C)C=C1)F