| SpectraBase Compound ID | DWkCtwFXgYF |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | SFNCJWNDARNDSM-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 | CM9z0tbPmGv |
|---|---|
| Name | 1-Phenylhexane-1,2-dione |
| 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/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | SFNCJWNDARNDSM-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C=1C=CC=CC1C(C(=O)CCCC)=O |