| SpectraBase Compound ID | KQNGU87FimT |
|---|---|
| InChI | InChI=1S/C16H9BrO/c17-16-13-8-4-5-9-14(13)18-15(16)11-10-12-6-2-1-3-7-12/h1-9H |
| InChIKey | SBAWNFCUUYRVPV-UHFFFAOYSA-N |
| Mol Weight | 297.15 g/mol |
| Molecular Formula | C16H9BrO |
| Exact Mass | 295.983678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iknjjn7GLhi |
|---|---|
| Name | 3-Bromo-2-phenylethynylbenzofuran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.983677909 u |
| Formula | C16H9BrO |
| InChI | InChI=1S/C16H9BrO/c17-16-13-8-4-5-9-14(13)18-15(16)11-10-12-6-2-1-3-7-12/h1-9H |
| InChIKey | SBAWNFCUUYRVPV-UHFFFAOYSA-N |
| SMILES | C=1(OC=2C(C1Br)=CC=CC2)C#CC=1C=CC=CC1 |