| SpectraBase Compound ID | ES57wU5UR36 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-11(14)7-5-10-6-8-12(15-2)13(9-10)16-3/h6,8-9H,4-5,7H2,1-3H3 |
| InChIKey | SOWKMIKWOOVRAB-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aHTfzAjpOB |
|---|---|
| Name | 1-(3,4-Dimethoxyphenyl)pentan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-4-11(14)7-5-10-6-8-12(15-2)13(9-10)16-3/h6,8-9H,4-5,7H2,1-3H3 |
| InChIKey | SOWKMIKWOOVRAB-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(CC(CC)=O)C1=CC(=C(C=C1)OC)OC |