| SpectraBase Compound ID | fNqNlFZyp4 |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-4-5-12(15)8-6-11-7-9-13(16-2)14(10-11)17-3/h7,9-10H,4-6,8H2,1-3H3 |
| InChIKey | PQRJLNAKELCEAC-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9r7XyRLTvDx |
|---|---|
| Name | 1-(3,4-Dimethoxyphenyl)hexan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-4-5-12(15)8-6-11-7-9-13(16-2)14(10-11)17-3/h7,9-10H,4-6,8H2,1-3H3 |
| InChIKey | PQRJLNAKELCEAC-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C(CC(CCC)=O)C1=CC(=C(C=C1)OC)OC |