| SpectraBase Compound ID | FfOy6K49zXG |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3 |
| InChIKey | WAJQTBOWJRUOOO-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XjN3saxFVt |
|---|---|
| Name | 2,4-Pentanedione, 3-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3 |
| InChIKey | WAJQTBOWJRUOOO-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1=CC(CC(C(C)=O)C(C)=O)=CC=C1 |