| SpectraBase Compound ID | FJRDVsdC7eB |
|---|---|
| InChI | InChI=1S/C17H14/c1-2-8-16-11-6-7-12-17(16)14-13-15-9-4-3-5-10-15/h2-7,9-12H,1,8H2 |
| InChIKey | YCAUADXRQNCRGL-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C17H14 |
| Exact Mass | 218.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JkUblXu1LKf |
|---|---|
| Name | 1-Allyl-2-(2-phenylethynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.109550451 u |
| Formula | C17H14 |
| InChI | InChI=1S/C17H14/c1-2-8-16-11-6-7-12-17(16)14-13-15-9-4-3-5-10-15/h2-7,9-12H,1,8H2 |
| InChIKey | YCAUADXRQNCRGL-UHFFFAOYSA-N |
| Molecular Weight | 218.299 g/mol |
| SMILES | C=1C=C(C(C#CC2=CC=CC=C2)=CC1)CC=C |