![1-Bromo-4-[2-(4-fluorophenyl)ethynyl]benzene](/api/spectrum/7TAfgtNRXd3/structure.png?h=300&w=458 "1-Bromo-4-[2-(4-fluorophenyl)ethynyl]benzene")
| SpectraBase Compound ID | 6olO51IGk7z |
|---|---|
| InChI | InChI=1S/C14H8BrF/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H |
| InChIKey | PVNQOXOUPCWLAF-UHFFFAOYSA-N |
| Mol Weight | 275.12 g/mol |
| Molecular Formula | C14H8BrF |
| Exact Mass | 273.979341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TAfgtNRXd3 |
|---|---|
| Name | 1-Bromo-4-[2-(4-fluorophenyl)ethynyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.979341421 u |
| Formula | C14H8BrF |
| InChI | InChI=1S/C14H8BrF/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H |
| InChIKey | PVNQOXOUPCWLAF-UHFFFAOYSA-N |
| Molecular Weight | 275.120 g/mol |
| SMILES | C1(F)=CC=C(C#CC2=CC=C(C=C2)Br)C=C1 |