| SpectraBase Compound ID | HYPyIUacFg6 |
|---|---|
| InChI | InChI=1S/C18H14O2/c1-14-7-10-16(11-8-14)18(20)13-17(19)12-9-15-5-3-2-4-6-15/h2-8,10-11H,13H2,1H3 |
| InChIKey | XVHXOGKZDHZLKJ-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 | 36Rnn06FMnO |
|---|---|
| Name | 1-(4-Methylphenyl)-5-phenyl-4-pentyne-1,3-dione |
| 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/c1-14-7-10-16(11-8-14)18(20)13-17(19)12-9-15-5-3-2-4-6-15/h2-8,10-11H,13H2,1H3 |
| InChIKey | XVHXOGKZDHZLKJ-UHFFFAOYSA-N |
| Molecular Weight | 262.308 g/mol |
| SMILES | C(#CC(CC(=O)C=1C=CC(=CC1)C)=O)C=1C=CC=CC1 |