| SpectraBase Compound ID | CsqMs2qotKV |
|---|---|
| InChI | InChI=1S/C17H12O2/c1-13(18)15-8-10-16(11-9-15)17(19)12-7-14-5-3-2-4-6-14/h2-6,8-11H,1H3 |
| InChIKey | MIHZKYAMRYBDHV-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C17H12O2 |
| Exact Mass | 248.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMls9gFmrgL |
|---|---|
| Name | 1-(4-Acetylphenyl)-3-phenylprop-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.083729624 u |
| Formula | C17H12O2 |
| InChI | InChI=1S/C17H12O2/c1-13(18)15-8-10-16(11-9-15)17(19)12-7-14-5-3-2-4-6-14/h2-6,8-11H,1H3 |
| InChIKey | MIHZKYAMRYBDHV-UHFFFAOYSA-N |
| Molecular Weight | 248.281 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C(=O)C1=CC=C(C=C1)C(=O)C |