| SpectraBase Compound ID | 3K9eyyk885Y |
|---|---|
| InChI | InChI=1S/C12H8O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-7,10H |
| InChIKey | AEJDDJMEGRMAOY-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C12H8O |
| Exact Mass | 168.057515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6hIUwC4c1hy |
|---|---|
| Name | 2-(Phenylethynyl)furan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.057514877 u |
| Formula | C12H8O |
| InChI | InChI=1S/C12H8O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-7,10H |
| InChIKey | AEJDDJMEGRMAOY-UHFFFAOYSA-N |
| Molecular Weight | 168.195 g/mol |
| SMILES | C=1(OC=CC1)C#CC=1C=CC=CC1 |