| SpectraBase Compound ID | GHe5G5Fbxva |
|---|---|
| InChI | InChI=1S/C18H12O/c1-2-15-8-10-16(11-9-15)12-13-18(19)14-17-6-4-3-5-7-17/h1,3-11H,14H2 |
| InChIKey | VXRASQIIJDTFPK-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C18H12O |
| Exact Mass | 244.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IDujIVAG91 |
|---|---|
| Name | 4-(4-Ethynylphenyl)-1-phenylbut-3-yn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.088815005 u |
| Formula | C18H12O |
| InChI | InChI=1S/C18H12O/c1-2-15-8-10-16(11-9-15)12-13-18(19)14-17-6-4-3-5-7-17/h1,3-11H,14H2 |
| InChIKey | VXRASQIIJDTFPK-UHFFFAOYSA-N |
| Molecular Weight | 244.293 g/mol |
| SMILES | C(#CC=1C=CC(C#C)=CC1)C(=O)CC=1C=CC=CC1 |