![1-[4-[2-(4-Acetylphenyl)ethynyl]phenyl]ethanone](/api/spectrum/9IgmoQohgzd/structure.png?h=300&w=458 "1-[4-[2-(4-Acetylphenyl)ethynyl]phenyl]ethanone")
| SpectraBase Compound ID | Gs1AGlidqId |
|---|---|
| InChI | InChI=1S/C18H14O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,1-2H3 |
| InChIKey | KIMMSYNNXRKRPS-UHFFFAOYSA-N |
| Mol Weight | 262.31 g/mol |
| Molecular Formula | C18H14O2 |
| Exact Mass | 262.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IgmoQohgzd |
|---|---|
| Name | 1-[4-[2-(4-Acetylphenyl)ethynyl]phenyl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.099379689 u |
| Formula | C18H14O2 |
| InChI | InChI=1S/C18H14O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,1-2H3 |
| InChIKey | KIMMSYNNXRKRPS-UHFFFAOYSA-N |
| Molecular Weight | 262.308 g/mol |
| SMILES | C(#CC=1C=CC(=CC1)C(=O)C)C=1C=CC(=CC1)C(=O)C |