| SpectraBase Compound ID | LfJGDQpNJc |
|---|---|
| InChI | InChI=1S/C16H10O2/c1-2-12-8-10-14(11-9-12)16(18)15(17)13-6-4-3-5-7-13/h1,3-11H |
| InChIKey | XENJOWUWOAZSJC-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C16H10O2 |
| Exact Mass | 234.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFjXdZdoSKE |
|---|---|
| Name | 1-(4-Ethynylphenyl)-2-phenylethane-1,2-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.068079560 u |
| Formula | C16H10O2 |
| InChI | InChI=1S/C16H10O2/c1-2-12-8-10-14(11-9-12)16(18)15(17)13-6-4-3-5-7-13/h1,3-11H |
| InChIKey | XENJOWUWOAZSJC-UHFFFAOYSA-N |
| Molecular Weight | 234.254 g/mol |
| SMILES | C1=CC(=CC=C1)C(=O)C(C1=CC=C(C=C1)C#C)=O |