| SpectraBase Compound ID | 5dm5zEwk1xk |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9-4-6-10(7-5-9)8-11(13)12(14-2)15-3/h4-7,12H,8H2,1-3H3 |
| InChIKey | KBGOKLUNTWEWQQ-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EePsBqCgFKT |
|---|---|
| Name | 1,1-Dimethoxy-3-(4-methylphenyl)propan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9-4-6-10(7-5-9)8-11(13)12(14-2)15-3/h4-7,12H,8H2,1-3H3 |
| InChIKey | KBGOKLUNTWEWQQ-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(C(CC=1C=CC(=CC1)C)=O)(OC)OC |