![4-[2-(3-Ketobut-1-ynyl)phenyl]but-3-yn-2-one](/api/spectrum/JQFmDiQCppU/structure.png?h=300&w=458 "4-[2-(3-Ketobut-1-ynyl)phenyl]but-3-yn-2-one")
| SpectraBase Compound ID | 9954Lk3K0X1 |
|---|---|
| InChI | InChI=1S/C14H10O2/c1-11(15)7-9-13-5-3-4-6-14(13)10-8-12(2)16/h3-6H,1-2H3 |
| InChIKey | DCPMBEOPSRNTLG-UHFFFAOYSA-N |
| Mol Weight | 210.23 g/mol |
| Molecular Formula | C14H10O2 |
| Exact Mass | 210.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQFmDiQCppU |
|---|---|
| Name | 4-[2-(3-Ketobut-1-ynyl)phenyl]but-3-yn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.068079560 u |
| Formula | C14H10O2 |
| InChI | InChI=1S/C14H10O2/c1-11(15)7-9-13-5-3-4-6-14(13)10-8-12(2)16/h3-6H,1-2H3 |
| InChIKey | DCPMBEOPSRNTLG-UHFFFAOYSA-N |
| Molecular Weight | 210.232 g/mol |
| SMILES | C=1(C(=CC=CC1)C#CC(C)=O)C#CC(C)=O |